NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.5370 8.3716 117.8895 52.8274 40.5911 173.3338 3 L 4.0157 8.3451 122.0838 52.4665 41.9484 174.1697 4 P 5.0764 0.0000 0.0000 62.3618 32.7782 176.4533 5 T 4.1578 8.4931 111.8310 61.0527 71.0213 175.2551 6 A 4.0152 8.4603 122.1622 55.5752 18.2692 179.7497 7 Q 3.9323 8.0067 115.8941 59.1961 28.7838 178.8343 8 E 3.9141 7.9878 119.4139 59.0637 29.3536 179.4570 9 V 3.0721 8.0682 118.7744 65.8591 31.5844 177.8671 10 Q 4.0636 8.1021 117.8661 59.1155 28.5846 179.4105 11 G 3.5976 7.9855 106.3509 47.8219 0.0000 175.7377 12 L 3.9668 8.0771 121.9301 57.8317 41.7395 179.5683 13 M 4.1764 8.4288 118.6713 58.0499 31.9106 178.6876 14 A 4.0312 8.1713 121.2802 54.9151 18.4499 179.6144 15 R 3.7899 8.2034 117.3986 59.6982 30.1016 177.8261 16 Y 4.0122 8.2524 119.5749 61.1117 38.5974 178.5110 17 I 3.4291 7.7527 120.0842 64.2537 37.1383 178.2373 18 E 3.9077 8.1882 119.4956 59.3848 29.1528 179.4830 19 L 3.9147 7.9772 119.1729 57.5494 41.4420 179.6198 20 V 3.3755 7.3938 117.6812 65.9351 31.4964 177.2280 21 D 4.4135 8.0704 117.0499 57.2133 41.1257 178.0695 22 V 3.9844 7.6829 111.3580 61.3741 31.9012 176.7713 23 G 3.7225 8.0835 106.4780 46.5953 0.0000 174.4752 24 D 4.5538 7.7910 120.4802 52.4448 40.2551 175.6847 25 I 3.6387 7.9824 126.7149 64.2594 37.5559 177.6745 26 E 3.9591 8.1499 118.5469 59.3044 29.1128 179.1565 27 A 4.0445 8.1072 120.1814 54.8928 18.6880 179.5046 28 I 3.7288 7.9169 118.6751 64.6428 37.2140 178.8046 29 V 3.8066 8.0181 119.2257 66.1126 31.1035 177.7839 30 Q 4.1027 7.9354 118.0918 59.0886 29.1454 177.7385 31 M 4.2040 8.1607 119.4729 56.7637 32.0310 175.7337 32 Y 4.6192 7.3330 116.3362 56.2399 39.5986 175.3993 33 A 4.2607 8.7866 126.5579 52.0921 19.3190 178.6894 34 D 4.4826 8.8607 119.7724 55.6607 39.5005 177.5493 35 D 4.5910 7.8100 117.5685 52.5350 40.0115 175.8698 36 A 4.5278 7.8327 121.6770 53.1853 19.9695 177.3081 37 T 5.0144 8.6334 108.9666 59.8272 72.1277 173.1915 38 V 4.8043 8.5021 123.3093 61.1415 34.9794 173.9502 39 E 4.6370 9.4060 127.4883 54.8754 31.7669 175.2139 40 N 5.2082 8.3060 124.9247 51.7467 40.7048 171.9735 41 P 4.4983 0.0000 0.0000 61.7025 33.0716 175.4229 42 F 3.8818 9.1762 124.8850 59.9440 39.1322 175.0768 43 G 3.5713 7.7817 112.1678 45.2199 0.0000 173.2763 44 Q 4.4489 6.9300 120.0528 53.0649 31.0334 173.3398 45 P 4.2174 0.0000 0.0000 62.1278 31.8780 174.7235 46 P 4.7585 0.0000 0.0000 62.5741 32.7342 175.1848 47 I 4.6054 8.3689 114.1132 59.5527 40.4281 173.9420 48 H 5.0227 9.3130 123.5104 55.6714 32.4715 174.2448 49 G 4.0722 9.1122 110.7028 45.8796 0.0000 174.5362 50 R 3.8786 8.4225 119.2490 58.8592 29.9575 179.3181 51 E 3.9365 8.1184 118.7473 59.5170 29.7242 178.8008 52 Q 4.0542 8.0130 117.5617 58.9365 28.8090 178.6775 53 I 3.6553 7.9977 120.8161 64.2673 37.1038 178.2876 54 A 4.1691 8.5007 121.8564 55.1459 18.1823 179.5375 55 A 3.9988 8.2425 119.3119 55.1361 18.4178 179.4809 56 F 3.9909 8.4543 119.2742 61.9498 39.4793 177.1027 57 Y 3.8661 8.2622 116.1606 60.7524 37.4337 178.0995 58 R 4.0025 8.3871 119.6492 59.2764 30.2052 178.1646 59 Q 4.1439 7.8799 118.7621 59.1194 29.2456 177.9568 60 G 3.4865 7.7506 105.4631 45.6221 0.0000 173.6481 61 L 4.5966 7.6929 120.3854 52.3074 44.2690 175.8705 *65 K 4.0536 8.4367 123.1839 56.2094 33.0674 174.8215 66 V 4.7559 8.1783 124.5144 61.3119 34.8562 174.3174 67 R 5.0278 9.0576 125.2462 54.4388 33.7793 174.5672 68 A 5.3904 9.4109 123.7464 50.5496 22.2526 175.4021 69 C 4.8875 9.1947 116.4782 56.0244 33.4154 173.7452 70 L 4.6703 8.8211 121.7893 55.3507 41.8457 177.0469 71 T 4.4887 8.4404 111.6603 60.8060 69.2179 173.4379 72 G 3.9933 7.3530 109.7340 44.6937 0.0000 171.4426 73 P 4.4439 0.0000 0.0000 62.1177 31.8987 176.2950 74 V 3.8857 8.1996 120.1095 63.2909 32.4360 175.2991 75 R 4.5955 9.3891 127.1477 54.7941 31.5129 175.0824 76 A 5.2228 8.5982 125.9062 50.2172 21.8765 175.7369 77 S 4.5543 8.7089 115.9401 57.2293 65.7396 173.8501 78 H 4.8801 8.6403 115.3435 55.7677 28.5073 174.9948 79 N 4.9798 8.0405 117.0802 52.7401 37.5920 174.9801 80 G 3.9408 8.6160 104.3483 47.3851 0.0000 173.1671 81 C 5.5395 7.8083 115.6628 58.0019 32.4267 172.9716 82 G 4.5700 8.9198 106.6329 45.6008 0.0000 171.6157 83 A 5.5798 9.2775 121.3124 50.4739 22.9569 175.2103 84 M 5.2053 9.1813 117.4495 53.3477 35.3215 171.8763 85 P 5.4999 0.0000 0.0000 61.7614 34.0260 174.1430 86 F 5.5431 8.8460 116.7934 56.1237 42.2072 172.5350 87 R 4.9646 9.2934 118.9418 54.4639 33.4165 173.8691 88 V 4.9973 8.7573 125.5938 61.1655 34.3850 173.8617 89 E 5.2923 9.3633 127.4129 54.9580 32.7143 175.0576 90 M 5.3404 8.9245 120.0985 54.4275 35.6179 173.1086 91 V 4.8292 8.3554 117.9870 60.9056 33.9049 174.6924 92 W 4.6645 9.1895 135.0000 56.2388 32.0379 174.4338 93 N 3.9996 9.3363 125.7789 54.5078 34.6533 175.0951 94 G 3.8119 7.9948 101.3446 45.9292 0.0000 171.6308 95 Q 4.6425 7.3984 120.5027 52.9390 31.0504 173.1584 96 P 4.9925 0.0000 0.0000 63.7118 31.9836 175.1563 97 C 5.0700 9.5348 116.1379 57.1737 33.8196 172.3370 98 A 5.1809 9.2350 120.6508 50.0879 22.6614 174.7933 99 L 5.0078 8.9125 121.8251 53.3130 45.2993 174.9940 100 D 5.0570 8.6484 126.5752 53.4322 41.9315 176.1925 101 V 4.6603 8.4712 122.4523 61.1098 35.8741 173.8342 102 I 5.0953 8.6559 125.7999 59.7422 40.3224 174.1434 103 D 5.5884 9.2567 126.8717 52.7470 43.5854 175.4354 104 V 4.9092 9.0072 122.8780 61.4844 34.0088 174.2541 105 M 5.1339 9.1563 127.1220 53.4002 36.0543 174.3177 106 R 4.9302 8.6656 122.9266 54.7296 32.3636 174.9422 107 F 5.0265 9.2434 125.8708 56.2944 41.2812 175.4910 108 D 4.8719 8.9054 121.8663 51.6289 41.6358 176.8247 109 E 4.0442 8.5759 115.5012 58.7621 29.5636 177.5091 110 H 4.8792 8.7117 116.3754 55.3777 29.0539 174.9070 111 G 3.9172 8.3663 107.2033 46.3614 0.0000 173.9855 112 R 4.8214 8.0118 117.4342 53.8634 32.6396 175.4621 113 I 3.5578 8.3951 122.4519 61.5247 37.5077 176.5969 114 Q 4.1530 9.1780 129.6829 58.1568 30.4665 175.4460 115 T 5.2125 7.5414 112.1875 60.4512 71.4670 172.2311 116 M 5.1495 8.9935 127.1119 53.9831 35.8661 173.5332 117 Q 5.1173 9.3322 125.0968 54.0306 31.8083 174.1991 118 A 5.3708 9.1705 126.5860 50.6112 21.5744 174.7807 119 Y 4.8148 9.2743 121.9197 56.6993 39.5744 175.2086 120 W 4.9134 8.1229 119.9542 56.7686 30.5818 173.6960 121 S 4.4035 8.7810 114.5349 57.1288 65.6548 174.3655 122 E 4.2314 8.8054 118.0822 59.5207 29.3245 179.7403 123 V 3.6561 7.3151 111.1307 63.9889 31.8625 176.6227 124 N 4.7856 8.6511 115.9420 52.8694 38.8035 173.7373 125 L 5.0281 7.7704 121.3520 54.0321 43.6870 175.9634 126 S 4.8271 9.2444 121.5940 56.6541 66.4455 174.5532 127 V 4.1084 8.5199 123.3257 61.7937 31.1813 175.8838 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 8.37 5.54 0.00 2.62 2.84 0.00 0.00 6.89 6.97 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 3 L 8.35 4.02 0.00 1.66 1.60 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 5.08 0.00 2.02 1.80 0.00 3.45 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.41 0.00 5 T 8.49 4.16 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 6 A 8.46 4.02 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 7 Q 8.01 3.93 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 E 7.99 3.91 0.00 2.18 1.85 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 2.26 2.25 0.00 9 V 8.07 3.07 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 1.12 0.00 0.00 0.77 0.00 0.00 10 Q 8.10 4.06 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 11 G 7.99 3.60 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 12 L 8.08 3.97 0.00 1.20 1.64 0.36 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.43 4.18 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.77 0.00 14 A 8.17 4.03 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 15 R 8.20 3.79 0.00 1.94 2.16 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 Y 8.25 4.01 0.00 3.06 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 17 I 7.75 3.43 1.95 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.73 0.85 0.00 0.00 18 E 8.19 3.91 0.00 2.13 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 2.45 2.48 0.00 19 L 7.98 3.91 0.00 1.57 1.56 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.39 3.38 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 0.78 0.00 0.00 0.31 0.00 0.00 21 D 8.07 4.41 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 22 V 7.68 3.98 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 0.76 0.00 0.00 0.97 0.00 0.00 23 G 8.08 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 24 D 7.79 4.55 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.64 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 1.65 0.77 0.97 0.00 0.00 26 E 8.15 3.96 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 2.41 2.38 0.00 27 A 8.11 4.04 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 28 I 7.92 3.73 1.70 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.52 0.35 0.00 0.00 29 V 8.02 3.81 2.25 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 1.05 0.00 0.00 1.01 0.00 0.00 30 Q 7.94 4.10 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.16 4.20 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.60 0.00 32 Y 7.33 4.62 0.00 3.21 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 33 A 8.79 4.26 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.86 4.48 0.00 2.86 2.97 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 35 D 7.81 4.59 0.00 2.85 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 36 A 7.83 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.63 5.01 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 1.26 0.00 0.00 38 V 8.50 4.80 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 0.63 0.00 0.00 0.72 0.00 0.00 39 E 9.41 4.64 0.00 2.03 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 2.09 2.15 0.00 40 N 8.31 5.21 0.00 2.63 2.45 0.00 0.00 7.27 7.69 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 41 P 0.00 4.50 0.00 1.28 0.49 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.03 0.00 42 F 9.18 3.88 0.00 2.21 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 43 G 7.78 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 6.93 4.45 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 45 P 0.00 4.22 0.00 2.01 1.90 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 46 P 0.00 4.76 0.00 2.02 1.98 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 47 I 8.37 4.61 1.88 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.63 0.82 0.00 0.00 48 H 9.31 5.02 0.00 3.07 3.16 0.00 5.94 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 49 G 9.11 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 50 R 8.42 3.88 0.00 1.91 2.02 0.00 3.17 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 51 E 8.12 3.94 0.00 2.05 1.95 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 2.40 2.42 0.00 52 Q 8.01 4.05 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 53 I 8.00 3.66 1.74 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.59 0.69 0.00 0.00 54 A 8.50 4.17 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 55 A 8.24 4.00 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 56 F 8.45 3.99 0.00 3.03 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 57 Y 8.26 3.87 0.00 3.18 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 58 R 8.39 4.00 0.00 1.96 2.11 0.00 3.28 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 59 Q 7.88 4.14 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 60 G 7.75 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 4.60 0.00 1.62 1.57 1.02 0.88 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 *65 K 8.44 4.05 0.00 1.74 1.77 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 66 V 8.18 4.76 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 0.94 0.00 0.00 0.93 0.00 0.00 67 R 9.06 5.03 0.00 1.77 1.77 0.00 3.13 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 68 A 9.41 5.39 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 0.00 0.00 0.00 0.00 0.00 69 C 9.19 4.89 0.00 3.00 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 70 L 8.82 4.67 0.00 1.60 1.88 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.44 4.49 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 1.29 0.00 0.00 72 G 7.35 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 73 P 0.00 4.44 0.00 2.20 2.08 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 74 V 8.20 3.89 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 0.86 0.00 0.00 0.96 0.00 0.00 75 R 9.39 4.60 0.00 1.92 1.84 0.00 3.27 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 76 A 8.60 5.22 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 77 S 8.71 4.55 0.00 3.84 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 78 H 8.64 4.88 0.00 3.18 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.04 4.98 0.00 2.80 2.86 0.00 0.00 6.91 6.56 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 80 G 8.62 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 81 C 7.81 5.54 0.00 2.88 2.83 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 0.00 0.00 0.00 82 G 8.92 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 9.28 5.58 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 0.00 0.00 0.00 0.00 0.00 84 M 9.18 5.21 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.63 0.00 85 P 0.00 5.50 0.00 2.18 2.24 0.00 3.81 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 86 F 8.85 5.54 0.00 3.28 3.19 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 0.00 0.00 0.00 87 R 9.29 4.96 0.00 1.86 1.80 0.00 3.05 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 88 V 8.76 5.00 2.01 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 0.89 0.00 0.00 1.14 0.00 0.00 89 E 9.36 5.29 0.00 1.89 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 2.22 2.22 0.00 90 M 8.92 5.34 0.00 1.98 2.15 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 2.44 2.65 0.00 91 V 8.36 4.83 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 0.82 0.00 0.00 0.95 0.00 0.00 92 W 9.19 4.66 0.00 3.27 3.10 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 93 N 9.34 4.00 0.00 2.13 2.51 0.00 0.00 7.12 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 94 G 7.99 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 0.00 0.00 0.00 95 Q 7.40 4.64 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 96 P 0.00 4.99 0.00 2.13 2.06 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 97 C 9.53 5.07 0.00 3.11 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 98 A 9.24 5.18 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 0.00 0.00 0.00 0.00 0.00 99 L 8.91 5.01 0.00 1.38 1.18 0.60 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.65 5.06 0.00 2.59 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.47 4.66 0.67 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 1.17 0.00 0.00 0.44 0.00 0.00 102 I 8.66 5.10 1.95 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 1.27 0.60 0.99 0.00 0.00 103 D 9.26 5.59 0.00 2.87 2.65 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 0.00 104 V 9.01 4.91 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 1.14 0.00 0.00 1.00 0.00 0.00 105 M 9.16 5.13 0.00 1.27 1.74 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.12 0.00 106 R 8.67 4.93 0.00 1.82 1.70 0.00 3.08 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 107 F 9.24 5.03 0.00 3.03 2.97 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 0.00 108 D 8.91 4.87 0.00 2.87 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 0.00 109 E 8.58 4.04 0.00 2.05 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 2.03 2.18 0.00 110 H 8.71 4.88 0.00 3.22 3.35 0.00 5.92 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 0.00 111 G 8.37 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 0.00 0.00 0.00 112 R 8.01 4.82 0.00 2.25 1.87 0.00 3.18 0.00 0.00 3.54 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 113 I 8.40 3.56 1.08 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.20 0.52 0.00 0.00 114 Q 9.18 4.15 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 115 T 7.54 5.21 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 1.19 0.00 0.00 116 M 8.99 5.15 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 117 Q 9.33 5.12 0.00 1.94 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 118 A 9.17 5.37 1.58 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 0.00 0.00 119 Y 9.27 4.81 0.00 3.07 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 0.00 120 W 8.12 4.91 0.00 3.36 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 0.00 121 S 8.78 4.40 0.00 3.92 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 0.00 122 E 8.81 4.23 0.00 2.14 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 0.00 2.44 2.51 0.00 123 V 7.32 3.66 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 0.69 0.00 0.00 0.99 0.00 0.00 124 N 8.65 4.79 0.00 3.11 3.03 0.00 0.00 6.44 6.28 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 0.00 125 L 7.77 5.03 0.00 1.81 1.58 0.85 0.78 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 0.00 126 S 9.24 4.83 0.00 3.73 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 0.00 127 V 8.52 4.11 2.23 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 0.73 0.00 0.00 1.09 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.