NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5978 8.4249 118.2009 52.4121 39.6963 174.5191 3 H 4.7623 7.6846 114.0863 52.1469 29.0675 171.3935 4 T 4.3358 7.8287 114.1022 60.2652 72.0176 176.3269 5 A 3.7743 8.4903 124.9456 55.6102 18.0827 179.7445 6 D 4.3477 8.0679 114.8529 56.7746 41.4434 176.9860 7 N 4.8328 7.6908 113.8990 52.0032 39.3311 174.2245 8 C 4.4552 7.5114 123.2078 58.2399 32.4358 174.3115 9 I 3.8327 8.4246 121.7785 64.1906 37.0373 178.2946 10 F 4.5123 8.1093 119.1823 60.6854 38.7822 177.2654 11 C 4.2532 8.2538 115.9595 62.8099 27.8782 176.1773 12 K 4.0193 8.2520 120.1775 59.2370 31.5661 179.6018 13 I 3.8517 7.6512 121.6314 63.9224 36.7987 178.4372 14 I 3.6879 7.7798 119.7440 64.2899 37.0461 177.3511 15 D 4.5702 8.1182 116.5133 54.5435 41.1981 176.9092 16 G 3.9052 7.7502 106.4926 46.6550 0.0000 174.7555 17 Q 4.1679 8.2544 120.8569 57.4944 29.1044 176.5593 18 I 4.6638 7.2525 109.5936 58.6321 40.6810 174.7160 19 L 4.3483 8.2343 121.9909 54.7435 42.4141 175.8601 20 C 4.5876 7.9351 113.9912 56.9909 32.6837 174.1655 21 S 4.6057 8.3751 117.0371 56.9561 63.0826 173.0006 22 K 4.6273 8.5186 126.5636 56.4267 32.1443 176.3289 23 V 4.3110 8.6664 127.1575 64.5001 33.3928 174.9480 24 Y 4.7302 7.7582 117.8346 57.0423 41.9757 172.6216 25 E 4.9693 7.1624 123.5293 55.2933 33.1513 173.5290 26 D 4.9258 8.8383 125.2930 52.1168 44.7058 176.6043 27 E 3.8804 8.6307 118.4984 58.9694 29.7087 177.8157 28 H 4.9319 7.6303 111.8806 55.6617 30.9331 173.9374 29 V 5.1224 7.4539 111.2646 59.6317 36.4947 173.8119 30 L 5.2835 9.2172 123.9053 53.3738 45.7626 174.9293 31 A 5.2933 9.3301 127.5636 50.3286 22.1951 174.9120 32 F 5.2671 8.1730 115.7077 55.2410 41.9845 173.6411 33 L 4.5005 8.5589 120.3317 54.7044 42.3559 176.7326 34 D 4.4940 8.5712 123.6506 53.4086 41.4900 177.3449 35 I 3.8071 8.4625 120.5518 63.6522 37.8079 177.5105 36 S 4.0976 8.8650 117.3872 60.0506 63.2329 174.4505 37 Q 3.2728 7.9247 117.2500 56.6910 26.2900 174.3965 38 V 3.8160 7.7257 113.7101 64.1269 32.7690 176.8298 39 T 4.9157 7.4500 107.5406 59.1686 71.7138 172.7943 40 K 4.0172 8.3980 124.0765 58.5169 32.1517 176.9448 41 G 4.0494 9.6114 115.6331 44.7853 0.0000 172.3811 42 H 4.3092 8.1072 120.3947 57.3858 30.8074 174.0966 43 T 5.0275 9.1098 121.7494 61.7309 72.7254 172.8339 44 L 4.9272 8.5937 124.7495 52.9081 44.6457 175.5610 45 V 4.9192 8.3564 122.3931 61.0366 34.3158 174.3470 46 I 5.2813 8.8199 120.8541 58.3859 41.1723 173.0153 47 P 4.9551 0.0000 0.0000 62.8517 31.6589 176.6103 48 K 4.2828 9.1125 121.7783 59.2037 32.6446 178.1345 49 V 3.8178 7.7996 119.4202 62.2332 32.1688 174.8178 50 H 4.2958 8.8427 126.6956 55.9251 29.7281 174.4656 51 K 4.6023 8.0249 126.1883 54.3515 35.2130 177.4108 52 Q 4.2256 9.1778 124.6052 58.6495 29.7210 174.7865 53 D 4.7537 7.5961 114.7743 52.7425 42.0532 175.1845 54 I 3.4096 8.8658 118.8744 64.3779 37.9025 178.5085 55 F 4.3106 7.3581 117.6128 59.9803 38.7735 175.8709 56 A 4.4466 7.9394 120.8571 52.1516 18.9332 177.3659 57 L 4.1080 7.4531 116.7652 54.4897 42.4261 177.3866 58 T 4.5040 7.9654 112.5460 59.7033 72.0855 173.9825 59 P 4.1614 0.0000 0.0000 65.9389 31.4661 178.7758 60 E 3.8396 8.0365 115.7440 59.3795 29.5723 179.2119 61 I 3.7365 7.5782 120.4972 64.0163 37.2083 178.1368 62 A 3.8995 8.1368 122.1657 55.1906 18.1880 179.8655 63 S 4.1196 8.2586 112.9071 61.8427 62.8319 176.4204 64 H 4.2894 7.7375 118.5122 58.6539 28.5796 177.5169 65 I 3.9747 7.9223 121.5012 64.5843 37.0652 178.2755 66 F 4.2304 8.4005 121.3079 60.6545 39.0235 177.3807 67 S 4.1825 8.1989 113.3659 60.9103 63.0138 176.0063 68 V 3.8558 7.2312 114.1076 61.6931 31.8003 178.1583 69 V 3.3742 7.2884 119.0282 65.4463 31.3006 176.0173 70 P 4.0225 0.0000 0.0000 65.3366 31.2055 178.7285 71 K 3.9941 7.7172 117.1321 59.8837 32.5086 179.2435 72 I 3.6001 7.4871 120.5631 63.9774 36.9946 178.1829 73 A 3.6885 8.2645 121.9745 55.1596 18.1064 179.4500 74 N 4.1262 8.4408 115.1352 56.1687 38.5348 177.5826 75 A 3.9104 7.8698 122.1988 55.1853 18.4715 179.7237 76 I 3.7086 7.7158 118.3916 64.3141 37.2072 178.6144 77 K 3.9466 8.2214 120.2236 59.5288 31.8632 178.6430 78 A 3.9604 8.1024 120.0055 55.2858 18.3453 179.0556 79 E 3.9427 7.9700 115.7597 58.0778 29.7457 178.1910 80 F 5.1040 7.9665 114.2353 55.8586 41.4234 174.6960 81 N 4.2661 8.3428 115.8660 53.7068 36.3200 172.1448 82 P 4.3117 0.0000 0.0000 62.8629 32.5642 177.0993 83 V 4.0150 8.1613 111.9490 62.2771 32.3670 175.7495 84 G 4.1083 7.4858 106.6297 46.3459 0.0000 171.7031 85 F 5.0904 8.4299 119.7188 57.2142 42.1755 173.0765 86 N 5.2589 8.8251 122.1190 51.4246 42.7761 173.1218 87 L 5.2332 8.5045 120.4121 53.0348 44.7534 175.7688 88 L 4.7517 8.5690 123.9514 53.4746 45.9051 174.3351 89 N 5.1298 8.6953 123.0564 51.8760 42.0828 172.8935 90 N 4.9778 8.6320 122.5809 51.3943 41.1548 173.6802 91 N 5.0106 8.7065 119.5398 52.7220 41.9169 174.6398 92 G 4.2625 9.4270 110.9897 45.6680 0.0000 174.1071 93 E 4.3447 8.8807 119.0730 58.5239 29.7319 178.6565 94 K 4.2723 8.1507 115.8118 57.1923 32.3792 176.8622 95 A 4.5587 8.1180 120.6358 51.7967 19.4088 177.1830 96 G 3.9510 7.9374 105.0150 45.4980 0.0000 173.8677 97 Q 3.9874 8.2555 122.5152 55.7585 29.4185 176.3815 98 T 4.3726 8.2458 114.0712 61.1455 71.0000 174.0857 99 V 4.0661 7.2636 121.2765 60.9314 33.6944 175.7540 100 F 4.4918 8.4343 129.1562 57.0053 38.6036 175.4977 101 H 5.0916 7.5779 118.7216 53.9355 32.8068 172.0070 102 F 4.1812 9.3795 130.2700 59.5020 39.4287 174.0089 103 H 4.9538 7.6227 119.6829 54.1201 31.7691 172.1024 104 L 4.6268 8.4985 122.1439 53.6733 44.6110 174.7001 105 H 5.0509 9.1771 123.9184 54.8669 30.5906 174.1061 106 L 4.7221 9.1971 124.0068 53.2814 43.7814 175.8081 107 I 4.3289 7.8414 126.7662 58.2804 39.1192 173.7149 108 P 4.1122 0.0000 0.0000 62.4404 32.3016 175.8808 109 R 4.6703 8.3822 120.5531 54.8802 32.3960 176.3789 110 Y 4.5129 10.2958 118.9574 56.4101 40.9787 176.2034 111 G 3.9639 7.7491 104.9737 45.8308 0.0000 172.0311 112 E 3.9392 8.7209 118.1226 59.7151 29.4604 177.7515 113 N 4.7186 8.0302 112.8826 53.2354 38.8093 174.8858 114 D 4.4832 7.9854 119.5554 54.8195 41.2386 176.5620 115 G 3.9998 8.6299 111.5815 45.5331 0.0000 173.1750 116 F 4.9062 7.8281 120.8091 56.1096 42.4055 174.1017 117 G 3.6334 7.2843 113.8567 43.9638 0.0000 171.8163 118 A 4.3622 7.8354 125.3454 50.2172 20.4830 176.7524 119 V 4.1165 8.2593 122.5677 61.2123 32.4694 175.0044 120 W 4.7583 8.7424 135.0000 55.3409 32.8990 173.9687 121 K 4.3285 7.9973 126.3055 54.2080 33.3655 175.4665 122 S 4.2407 8.4085 121.0746 58.7551 63.1963 173.0568 123 H 5.0267 8.4482 121.2937 55.3805 30.1066 175.5542 124 Q 4.1698 8.1707 120.9515 59.5195 28.3213 178.7917 125 N 4.3971 8.1456 114.6731 55.8880 38.7000 175.4739 126 E 4.1995 8.2196 115.5295 56.8326 29.7352 175.9436 127 Y 4.9068 7.5452 116.3229 56.6051 42.3329 175.1434 128 T 4.5318 7.8810 117.9426 63.6607 67.8271 176.3082 *130 E 4.2376 8.9308 130.5759 57.3053 31.2376 176.9612 131 N 4.4021 8.1665 115.5462 56.4772 38.5546 177.1978 132 L 3.9566 8.2106 120.4206 57.9478 41.5994 179.7061 133 Q 4.0042 8.0201 117.5168 58.8617 28.7549 178.2561 134 N 4.3349 8.3391 117.5838 56.3300 38.6248 177.5155 135 I 3.6873 7.9734 120.9447 64.4372 37.1952 178.3886 136 A 3.9918 8.2843 121.9312 55.1940 18.1562 179.6528 137 S 4.0399 8.4480 112.3156 61.6888 62.2552 176.5018 138 T 3.9963 7.8667 111.6314 64.5298 68.9046 176.6859 139 I 3.8288 7.7910 122.4898 64.1505 37.0421 178.0439 140 A 4.0084 8.1364 121.7105 55.3997 18.0515 179.2068 141 N 4.4696 8.0226 112.5526 55.3298 38.6882 176.8092 142 S 4.6845 7.8180 115.5696 58.2560 63.4993 174.1204 143 V 3.5593 7.1411 121.5341 62.9316 31.1836 175.6423 144 K 4.1374 8.5486 127.6411 56.5976 32.0690 176.1624 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 N 8.42 4.60 0.00 2.47 2.86 0.00 0.00 5.85 7.01 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 3 H 7.68 4.76 0.00 3.22 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.83 4.34 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 5 A 8.49 3.77 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 6 D 8.07 4.35 0.00 2.66 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 7 N 7.69 4.83 0.00 2.76 2.85 0.00 0.00 6.94 7.83 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 8 C 7.51 4.46 0.00 3.22 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 9 I 8.42 3.83 1.95 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 1.52 0.49 0.93 0.00 0.00 10 F 8.11 4.51 0.00 2.92 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 11 C 8.25 4.25 0.00 3.29 3.05 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 12 K 8.25 4.02 0.00 2.00 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.71 7.81 13 I 7.65 3.85 1.79 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.26 0.28 0.00 0.00 14 I 7.78 3.69 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.57 0.94 0.00 0.00 15 D 8.12 4.57 0.00 2.76 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 16 G 7.75 3.91 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 0.00 0.00 0.00 17 Q 8.25 4.17 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 18 I 7.25 4.66 1.84 0.00 0.00 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 1.38 0.90 0.91 0.00 0.00 19 L 8.23 4.35 0.00 1.62 1.59 0.91 0.81 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 20 C 7.94 4.59 0.00 2.60 2.31 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 21 S 8.38 4.61 0.00 3.86 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 22 K 8.52 4.63 0.00 1.78 1.73 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 23 V 8.67 4.31 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 0.86 0.00 0.00 1.00 0.00 0.00 24 Y 7.76 4.73 0.00 3.09 2.72 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 25 E 7.16 4.97 0.00 1.86 1.54 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 2.07 2.27 0.00 26 D 8.84 4.93 0.00 2.83 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 27 E 8.63 3.88 0.00 1.63 1.77 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 2.23 2.31 0.00 28 H 7.63 4.93 0.00 3.27 3.28 0.00 5.76 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 29 V 7.45 5.12 2.30 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 0.90 0.00 0.00 1.18 0.00 0.00 30 L 9.22 5.28 0.00 1.76 1.56 1.00 1.23 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 31 A 9.33 5.29 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 32 F 8.17 5.27 0.00 3.21 3.05 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 33 L 8.56 4.50 0.00 1.64 1.66 0.97 0.93 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 34 D 8.57 4.49 0.00 2.36 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 0.00 0.00 0.00 35 I 8.46 3.81 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.96 0.00 0.00 36 S 8.86 4.10 0.00 3.98 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 37 Q 7.92 3.27 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 38 V 7.73 3.82 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 0.88 0.00 0.00 0.72 0.00 0.00 39 T 7.45 4.92 4.52 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 1.33 0.00 0.00 40 K 8.40 4.02 0.00 1.38 1.22 0.00 1.32 0.00 0.00 1.00 0.00 0.00 2.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.52 1.04 7.81 41 G 9.61 4.05 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 0.00 42 H 8.11 4.31 0.00 3.33 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 9.11 5.03 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 1.16 0.00 0.00 44 L 8.59 4.93 0.00 0.28 0.99 0.67 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.36 4.92 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 1.07 0.00 0.00 0.89 0.00 0.00 46 I 8.82 5.28 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.84 0.76 0.00 0.00 47 P 0.00 4.96 0.00 2.21 2.21 0.00 4.25 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 48 K 9.11 4.28 0.00 1.69 1.98 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.46 7.81 49 V 7.80 3.82 2.14 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 0.81 0.00 0.00 0.99 0.00 0.00 50 H 8.84 4.30 0.00 3.24 3.30 0.00 5.92 0.00 0.00 0.00 0.00 6.72 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 4.60 0.00 1.75 1.63 0.00 1.91 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.30 7.81 52 Q 9.18 4.23 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 53 D 7.60 4.75 0.00 3.23 2.89 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 54 I 8.87 3.41 2.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.91 0.01 0.00 0.00 55 F 7.36 4.31 0.00 3.26 3.06 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 56 A 7.94 4.45 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 57 L 7.45 4.11 0.00 1.54 1.37 -0.26 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.97 4.50 4.21 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 1.20 0.00 0.00 59 P 0.00 4.16 0.00 2.14 2.12 0.00 3.57 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 2.09 2.12 0.00 60 E 8.04 3.84 0.00 2.11 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 2.33 2.39 0.00 61 I 7.58 3.74 1.81 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 1.45 1.16 0.90 0.00 0.00 62 A 8.14 3.90 1.21 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 0.00 0.00 63 S 8.26 4.12 0.00 4.03 4.20 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 64 H 7.74 4.29 0.00 3.37 3.46 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.92 3.97 2.15 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 1.58 1.11 1.19 0.00 0.00 66 F 8.40 4.23 0.00 3.21 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 67 S 8.20 4.18 0.00 4.09 4.15 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 68 V 7.23 3.86 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.89 0.00 0.00 69 V 7.29 3.37 1.45 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 0.59 0.00 0.00 0.87 0.00 0.00 70 P 0.00 4.02 0.00 2.03 1.90 0.00 3.56 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 71 K 7.72 3.99 0.00 1.85 1.94 0.00 1.39 0.00 0.00 1.69 0.00 0.00 2.62 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.37 1.21 7.81 72 I 7.49 3.60 1.85 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 1.29 0.34 0.91 0.00 0.00 73 A 8.26 3.69 0.68 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 74 N 8.44 4.13 0.00 2.66 2.78 0.00 0.00 6.93 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 75 A 7.87 3.91 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 76 I 7.72 3.71 2.23 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.80 1.30 0.00 0.00 77 K 8.22 3.95 0.00 1.80 1.88 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 78 A 8.10 3.96 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 79 E 7.97 3.94 0.00 1.17 1.19 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 2.29 2.21 0.00 80 F 7.97 5.10 0.00 3.26 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 81 N 8.34 4.27 0.00 2.97 2.92 0.00 0.00 6.96 7.88 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 82 P 0.00 4.31 0.00 2.20 1.40 0.00 3.94 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 2.03 2.09 0.00 83 V 8.16 4.02 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 0.68 0.00 0.00 0.96 0.00 0.00 84 G 7.49 4.11 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 0.00 0.00 0.00 85 F 8.43 5.09 0.00 2.96 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 86 N 8.83 5.26 0.00 2.36 2.53 0.00 0.00 6.72 6.30 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 87 L 8.50 5.23 0.00 1.58 1.64 1.12 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.57 4.75 0.00 1.39 1.17 0.97 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.70 5.13 0.00 2.56 2.57 0.00 0.00 6.90 7.79 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 90 N 8.63 4.98 0.00 2.60 2.79 0.00 0.00 6.82 8.00 0.00 0.00 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 N 8.71 5.01 0.00 2.67 2.74 0.00 0.00 7.28 7.65 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 92 G 9.43 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 0.00 0.00 0.00 0.00 93 E 8.88 4.34 0.00 2.26 2.50 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 2.45 2.34 0.00 94 K 8.15 4.27 0.00 1.82 1.93 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.48 7.81 95 A 8.12 4.56 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 G 7.94 3.95 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 0.00 0.00 0.00 97 Q 8.26 3.99 0.00 1.99 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.51 0.00 0.00 0.00 0.00 0.00 1.18 1.87 0.00 98 T 8.25 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 1.24 0.00 0.00 99 V 7.26 4.07 1.50 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 -0.21 0.00 0.00 0.65 0.00 0.00 100 F 8.43 4.49 0.00 3.08 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 0.00 101 H 7.58 5.09 0.00 3.14 3.14 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 9.38 4.18 0.00 3.05 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 0.00 103 H 7.62 4.95 0.00 3.04 3.32 0.00 5.54 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 0.00 104 L 8.50 4.63 0.00 1.74 1.52 1.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 105 H 9.18 5.05 0.00 2.98 3.05 0.00 5.63 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.20 4.72 0.00 1.76 1.82 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.84 4.33 1.37 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.39 0.67 0.00 0.00 108 P 0.00 4.11 0.00 1.64 2.03 0.00 3.53 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 109 R 8.38 4.67 0.00 1.53 1.89 0.00 3.25 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.73 0.00 110 Y 10.30 4.51 0.00 3.04 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 0.00 111 G 7.75 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 0.00 112 E 8.72 3.94 0.00 1.97 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 2.32 2.36 0.00 113 N 8.03 4.72 0.00 2.71 2.84 0.00 0.00 6.92 8.06 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 0.00 114 D 7.99 4.48 0.00 2.70 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 0.00 115 G 8.63 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 0.00 116 F 7.83 4.91 0.00 2.82 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 0.00 117 G 7.28 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 0.00 118 A 7.84 4.36 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 0.00 119 V 8.26 4.12 2.11 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 0.83 0.00 0.00 0.92 0.00 0.00 120 W 8.74 4.76 0.00 3.31 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 0.00 121 K 8.00 4.33 0.00 1.62 1.54 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.15 7.81 122 S 8.41 4.24 0.00 3.92 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 0.00 123 H 8.45 5.03 0.00 3.28 3.29 0.00 5.69 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 0.00 124 Q 8.17 4.17 0.00 2.29 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 125 N 8.15 4.40 0.00 2.75 2.93 0.00 0.00 6.94 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 0.00 126 E 8.22 4.20 0.00 1.80 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 2.27 2.27 0.00 127 Y 7.55 4.91 0.00 2.91 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 0.00 128 T 7.88 4.53 4.28 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 1.26 0.00 0.00 *130 E 8.93 4.24 0.00 2.01 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 2.29 2.30 0.00 131 N 8.17 4.40 0.00 3.18 3.08 0.00 0.00 7.11 6.74 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 0.00 132 L 8.21 3.96 0.00 1.68 1.69 0.92 0.85 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 0.00 133 Q 8.02 4.00 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 134 N 8.34 4.33 0.00 2.91 2.88 0.00 0.00 7.02 7.10 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 0.00 135 I 7.97 3.69 1.97 0.00 0.00 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 1.49 1.02 0.88 0.00 0.00 136 A 8.28 3.99 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 0.00 137 S 8.45 4.04 0.00 3.91 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 0.00 138 T 7.87 4.00 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 1.27 0.00 0.00 139 I 7.79 3.83 2.00 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 1.46 0.87 0.92 0.00 0.00 140 A 8.14 4.01 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 0.00 141 N 8.02 4.47 0.00 2.71 2.89 0.00 0.00 7.06 7.63 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 0.00 142 S 7.82 4.68 0.00 4.00 3.91 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 0.00 143 V 7.14 3.56 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 0.71 0.00 0.00 1.01 0.00 0.00 144 K 8.55 4.14 0.00 1.75 1.66 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.