NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2215 8.1749 117.3674 62.8587 69.9477 174.1781 3 T 3.2762 7.9032 118.5773 62.3195 68.4240 173.5351 4 F 4.5021 7.5303 121.8810 55.2767 41.0475 174.3561 5 R 4.4649 7.6901 119.7762 54.5089 33.5479 173.7866 6 F 5.5466 8.3687 120.9331 55.7038 41.9968 174.9294 7 C 4.5393 8.7327 121.6713 59.0082 32.5131 175.2169 8 R 4.3451 7.9874 121.8886 55.7964 30.1759 178.0646 9 D 4.1392 9.2264 117.2295 56.1186 40.6949 173.9336 10 C 4.2023 8.9071 124.2357 59.3796 30.7930 174.2588 11 N 4.5748 7.7845 117.2266 53.3787 37.9403 173.2685 12 N 4.7872 7.3123 113.6377 51.5571 41.6792 173.6515 13 M 4.8820 8.5467 119.1250 55.7164 33.2401 175.7451 14 L 4.8125 8.2006 125.4006 54.0897 42.9891 175.8967 15 Y 4.9450 9.2951 121.7301 56.0256 40.6003 172.9612 16 P 4.8259 0.0000 0.0000 62.2368 33.0976 175.1699 17 R 4.6680 9.1361 120.5314 54.9221 35.2246 173.2345 18 E 4.7731 8.5777 122.0797 54.9794 31.4701 175.4945 19 D 4.6606 8.4758 126.9845 52.6605 40.4998 176.8501 20 K 4.1018 8.5453 124.6877 58.6223 32.6840 178.8244 21 E 4.0915 8.3825 117.9783 59.0033 29.4665 177.4052 22 N 4.8315 8.5358 112.2480 51.9991 39.4551 174.3959 23 N 4.1427 8.0072 115.6253 53.4890 36.1045 172.9680 24 R 4.6514 7.3686 116.2144 54.8689 33.7707 173.7318 25 L 4.7763 8.3447 121.2207 53.6071 44.1311 174.9732 26 L 5.0143 8.3801 124.4185 53.0133 46.7011 175.1209 27 F 5.3737 9.1019 120.8185 55.7632 41.8232 174.2927 28 E 5.0532 9.9980 122.7904 54.7185 32.9231 175.1575 29 C 5.1733 8.7565 124.1174 57.7658 31.0034 174.2214 30 R 4.1642 8.4630 116.1354 56.8322 28.7142 177.8590 31 T 4.4234 8.5181 115.5772 63.3419 69.8214 175.1426 32 C 4.6982 8.0814 110.3471 57.9029 29.2774 174.7288 33 S 4.5794 9.0441 105.0794 58.4036 64.2979 175.4641 34 Y 4.5183 7.8334 122.7043 58.6153 40.0423 174.3422 35 V 4.4259 6.5949 120.3434 61.8137 34.5432 171.9126 36 E 4.7880 8.6647 124.4136 54.5050 33.8035 174.4420 37 E 4.8507 8.6858 118.4500 56.0456 31.4581 175.1726 38 A 4.8795 7.8298 123.4101 51.2964 20.3610 176.1895 *40 S 4.2928 8.2973 109.4506 57.8724 64.0160 172.1202 41 P 4.4672 0.0000 0.0000 63.5909 31.5124 176.3911 42 L 4.2292 7.6589 122.2970 55.1645 42.7014 175.9653 43 V 4.3172 8.5356 122.8183 63.8763 33.7686 174.8109 44 Y 4.9335 7.7983 117.3331 55.8028 41.7905 174.1805 45 R 4.3465 7.0938 123.4322 55.4714 33.0365 172.9231 46 H 4.3240 8.4928 123.8569 56.9218 31.1134 171.3713 47 E 3.6255 7.8812 131.4693 56.1017 26.7930 174.7693 48 L 4.1398 8.3319 123.5532 55.0754 42.6619 176.9781 49 I 4.3647 7.6186 118.1170 59.8264 38.2748 174.6039 50 T 4.9073 8.1474 120.6581 60.9512 71.5141 174.1324 51 N 4.7877 8.4124 119.8843 53.8036 40.4736 175.5165 52 I 3.8470 7.6507 111.9621 61.9117 37.7312 175.1062 53 G 3.9973 9.2428 113.8335 46.1005 0.0000 174.1023 54 E 3.6222 7.7580 119.2542 60.1319 29.8507 176.7610 55 T 4.1392 7.3169 118.7749 63.4933 68.8089 174.6191 56 A 4.2355 8.4203 128.1887 52.7290 21.7823 175.8719 57 G 3.6840 9.0063 112.3227 46.2245 0.0000 174.3325 58 V 3.9668 7.4689 120.9605 60.8416 30.4282 174.8311 59 V 4.3419 7.4729 124.4282 60.1005 33.9764 176.1355 60 Q 3.9498 8.8807 125.0433 59.6963 28.8177 177.9949 61 D 4.6036 8.0391 114.3508 54.8541 41.3989 177.5639 62 I 3.6080 8.3654 122.2157 64.0905 37.9900 177.8342 63 G 4.0769 8.2713 107.7235 48.5177 0.0000 173.8141 64 S 4.4266 8.3403 112.2090 58.1827 63.5688 173.4595 65 D 4.5205 8.4904 123.7317 53.2700 41.1982 175.1842 66 P 4.2696 0.0000 0.0000 65.1862 31.8248 177.3852 67 T 4.0764 8.6267 108.5332 63.0310 69.2109 174.6564 68 L 4.3735 7.1685 122.8018 53.4363 42.5250 175.2099 69 P 4.5367 0.0000 0.0000 62.5661 33.3884 175.0902 70 R 5.0436 8.3299 118.3848 54.8255 33.2787 175.9089 71 S 4.7814 9.2705 119.7398 57.3271 65.7306 173.6522 72 D 4.9643 8.3661 116.5230 51.9186 38.4467 173.8041 73 R 4.6626 7.5742 123.2373 55.1890 34.6852 174.0318 74 E 5.6426 7.9233 116.4337 53.9620 32.1418 175.9429 75 C 3.2785 8.1712 119.7368 58.5050 28.7410 173.1242 76 P 3.9785 0.0000 0.0000 65.2390 30.5038 176.6703 77 K 3.9574 7.0818 117.7395 57.0595 32.5232 176.2072 78 C 4.4106 7.7741 110.7881 58.3147 30.3479 174.0601 79 H 4.1139 7.4892 114.7089 57.0505 26.7489 175.0130 80 S 4.4985 7.5146 115.5906 58.0287 64.4032 174.9569 81 R 5.3398 8.3407 119.5016 55.5979 31.2949 176.2173 82 E 4.6014 8.3167 120.5898 55.1232 30.5753 174.5533 83 N 5.7945 8.9461 120.8787 50.4180 43.1540 174.4816 84 V 4.8019 8.5444 118.5106 60.9896 34.3683 173.4283 85 F 5.9544 9.1067 122.7861 56.3177 40.8588 174.2149 86 F 4.5586 7.7056 114.5668 57.4179 38.6792 172.4600 87 Q 4.8282 8.4181 122.5350 54.6433 30.2241 174.5547 88 S 3.8326 7.7489 112.3340 58.1387 63.0769 174.6537 89 Q 4.1593 7.9873 125.1948 57.8121 29.0423 177.0036 90 Q 4.0360 7.9468 117.0739 56.3156 29.2656 177.4425 91 R 4.3492 8.2692 123.4651 54.4268 28.7783 174.6032 92 R 4.6842 7.6997 120.4030 53.8006 33.6266 175.9994 93 K 4.1731 8.6505 118.9691 59.2531 32.1219 178.3800 94 D 4.8413 7.8123 115.8443 53.7058 39.9795 176.2213 95 T 4.2537 7.7873 116.6113 63.7063 69.2467 175.0867 96 S 4.3248 8.4811 120.3306 58.7505 63.7400 174.4852 97 M 4.4690 8.5341 121.1598 55.6747 31.0391 176.4640 98 V 3.6731 7.0594 119.2462 63.4040 33.1510 174.7060 99 L 4.8368 8.7440 123.4966 52.8292 45.1162 175.5583 100 F 4.6962 7.9681 119.2060 55.5394 42.5760 174.1617 101 F 4.9197 9.3290 122.4108 55.4100 42.1656 174.8364 102 V 4.7596 8.3850 121.3206 60.9338 34.2233 174.2995 103 C 4.6052 9.3510 130.1348 60.0651 32.0370 174.1800 104 L 4.3574 9.4329 125.8571 56.4287 41.1421 177.9236 105 S 4.5879 8.2622 114.4406 59.1513 64.0741 174.4372 106 C 4.7199 7.8661 111.0853 56.8998 30.6457 173.5778 107 S 3.9214 7.8930 115.0509 60.0858 60.3622 170.6945 108 H 4.8777 8.2417 120.0801 55.2756 31.2544 173.5842 109 I 5.4841 8.7167 127.2203 59.9634 37.8893 175.1645 110 F 5.0856 8.2662 121.1889 55.3916 41.5922 173.8099 111 T 4.9369 8.6037 116.0746 61.8880 71.1365 174.2799 112 S 4.6267 8.2641 117.1856 58.4497 63.8938 173.7884 113 D 4.4217 7.8327 121.0216 54.5643 41.4657 175.6261 114 Q 4.4455 8.5768 124.2103 56.3881 30.5069 176.9674 115 K 4.2282 8.1936 116.2627 58.4972 32.8869 176.8647 116 N 4.5400 8.7650 115.6330 52.6494 39.1025 175.0436 117 K 4.4662 8.5327 121.4431 54.7775 33.5783 175.8098 118 R 4.6286 8.5195 123.0418 54.7997 32.3572 176.0091 119 T 4.4077 8.4777 118.6425 64.0043 69.7613 174.8099 120 Q 4.1972 7.9719 124.7952 56.1100 28.8329 175.6805 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 T 8.17 4.22 4.30 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 0.00 0.00 0.00 1.42 0.00 0.00 3 T 7.90 3.28 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 1.00 0.00 0.00 4 F 7.53 4.50 0.00 2.70 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 5 R 7.69 4.46 0.00 1.64 1.52 0.00 3.10 0.00 0.00 3.56 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 6 F 8.37 5.55 0.00 3.01 2.92 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 7 C 8.73 4.54 0.00 3.32 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 8 R 7.99 4.35 0.00 1.91 1.85 0.00 3.06 0.00 0.00 3.23 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.35 0.00 9 D 9.23 4.14 0.00 2.64 2.43 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 10 C 8.91 4.20 0.00 3.10 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 11 N 7.78 4.57 0.00 2.72 2.75 0.00 0.00 7.12 7.41 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 12 N 7.31 4.79 0.00 2.91 2.86 0.00 0.00 6.69 7.54 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 13 M 8.55 4.88 0.00 1.78 1.94 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.82 0.00 14 L 8.20 4.81 0.00 1.75 1.81 1.23 1.46 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 15 Y 9.30 4.94 0.00 2.97 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 16 P 0.00 4.83 0.00 1.81 1.62 0.00 3.97 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 17 R 9.14 4.67 0.00 1.63 1.75 0.00 3.35 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 18 E 8.58 4.77 0.00 1.91 1.79 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 2.26 2.24 0.00 19 D 8.48 4.66 0.00 2.76 2.52 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 0.00 20 K 8.55 4.10 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.44 7.81 21 E 8.38 4.09 0.00 2.12 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 2.30 2.32 0.00 22 N 8.54 4.83 0.00 2.64 2.78 0.00 0.00 7.22 8.72 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 23 N 8.01 4.14 0.00 2.84 2.81 0.00 0.00 6.68 7.77 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 24 R 7.37 4.65 0.00 1.81 1.97 0.00 2.93 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 25 L 8.34 4.78 0.00 1.70 1.48 0.64 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.38 5.01 0.00 1.49 1.51 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 27 F 9.10 5.37 0.00 3.06 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 28 E 10.00 5.05 0.00 1.93 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 2.21 2.31 0.00 29 C 8.76 5.17 0.00 3.25 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 30 R 8.46 4.16 0.00 1.80 1.82 0.00 2.21 0.00 0.00 2.68 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.36 0.00 31 T 8.52 4.42 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 1.25 0.00 0.00 32 C 8.08 4.70 0.00 3.12 2.52 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 0.00 33 S 9.04 4.58 0.00 3.97 3.93 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 34 Y 7.83 4.52 0.00 3.10 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 35 V 6.59 4.43 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 0.71 0.00 0.00 0.87 0.00 0.00 36 E 8.66 4.79 0.00 2.06 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 2.25 2.37 0.00 37 E 8.69 4.85 0.00 2.02 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 2.30 2.36 0.00 38 A 7.83 4.88 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 *40 S 8.30 4.29 0.00 4.03 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 41 P 0.00 4.47 0.00 2.22 2.22 0.00 3.78 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 42 L 7.66 4.23 0.00 1.65 1.62 0.99 0.89 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 43 V 8.54 4.32 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 0.98 0.00 0.00 1.07 0.00 0.00 44 Y 7.80 4.93 0.00 2.88 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 45 R 7.09 4.35 0.00 1.63 1.54 0.00 3.26 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 46 H 8.49 4.32 0.00 3.13 3.28 0.00 6.10 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.88 3.63 0.00 2.15 1.94 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 2.25 2.26 0.00 48 L 8.33 4.14 0.00 1.63 1.71 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.62 4.36 1.87 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 1.42 0.61 0.92 0.00 0.00 50 T 8.15 4.91 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 1.22 0.00 0.00 51 N 8.41 4.79 0.00 2.82 2.98 0.00 0.00 6.66 7.38 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 52 I 7.65 3.85 1.84 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 1.32 0.49 0.89 0.00 0.00 53 G 9.24 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 54 E 7.76 3.62 0.00 1.71 1.12 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 2.31 2.44 0.00 55 T 7.32 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 1.26 0.00 0.00 56 A 8.42 4.24 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 57 G 9.01 3.68 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 58 V 7.47 3.97 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 0.88 0.00 0.00 1.01 0.00 0.00 59 V 7.47 4.34 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 0.84 0.00 0.00 0.89 0.00 0.00 60 Q 8.88 3.95 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 61 D 8.04 4.60 0.00 2.74 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 62 I 8.37 3.61 1.96 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 1.23 0.80 0.99 0.00 0.00 63 G 8.27 4.08 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 0.00 0.00 0.00 64 S 8.34 4.43 0.00 3.93 3.98 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 65 D 8.49 4.52 0.00 2.61 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 66 P 0.00 4.27 0.00 2.20 2.15 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 67 T 8.63 4.08 4.19 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 1.18 0.00 0.00 68 L 7.17 4.37 0.00 1.61 1.53 0.86 0.97 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 69 P 0.00 4.54 0.00 1.75 1.97 0.00 3.36 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.23 0.00 70 R 8.33 5.04 0.00 1.75 2.02 0.00 3.24 0.00 0.00 3.45 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 71 S 9.27 4.78 0.00 4.06 3.83 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 72 D 8.37 4.96 0.00 2.78 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 73 R 7.57 4.66 0.00 1.83 1.65 0.00 2.21 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 74 E 7.92 5.64 0.00 1.73 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 2.16 2.15 0.00 75 C 8.17 3.28 0.00 2.98 2.88 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 76 P 0.00 3.98 0.00 1.96 2.04 0.00 3.15 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.81 0.00 77 K 7.08 3.96 0.00 1.55 1.56 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.03 7.81 78 C 7.77 4.41 0.00 3.08 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 79 H 7.49 4.11 0.00 3.23 3.48 0.00 5.65 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.51 4.50 0.00 3.76 3.80 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 81 R 8.34 5.34 0.00 1.69 1.94 0.00 3.23 0.00 0.00 3.88 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.46 0.00 82 E 8.32 4.60 0.00 1.97 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 2.35 2.35 0.00 83 N 8.95 5.79 0.00 2.91 3.05 0.00 0.00 7.06 7.68 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 84 V 8.54 4.80 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 0.98 0.00 0.00 0.93 0.00 0.00 85 F 9.11 5.95 0.00 2.16 2.33 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 86 F 7.71 4.56 0.00 3.29 3.13 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 0.00 0.00 0.00 0.00 87 Q 8.42 4.83 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 88 S 7.75 3.83 0.00 4.05 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 7.99 4.16 0.00 2.39 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 90 Q 7.95 4.04 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.30 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 91 R 8.27 4.35 0.00 1.77 1.87 0.00 3.30 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.51 0.00 92 R 7.70 4.68 0.00 1.81 1.80 0.00 3.25 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 93 K 8.65 4.17 0.00 1.79 1.85 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 94 D 7.81 4.84 0.00 2.79 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 95 T 7.79 4.25 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 1.26 0.00 0.00 96 S 8.48 4.32 0.00 4.02 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 97 M 8.53 4.47 0.00 2.04 2.15 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 2.62 2.66 0.00 98 V 7.06 3.67 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 0.43 0.00 0.00 0.92 0.00 0.00 99 L 8.74 4.84 0.00 1.34 0.69 0.66 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 100 F 7.97 4.70 0.00 1.83 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 0.00 101 F 9.33 4.92 0.00 1.51 2.22 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 0.00 102 V 8.38 4.76 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 1.05 0.00 0.00 1.11 0.00 0.00 103 C 9.35 4.61 0.00 3.26 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 0.00 104 L 9.43 4.36 0.00 1.68 1.76 0.98 0.97 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 0.00 105 S 8.26 4.59 0.00 3.88 3.93 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 0.00 106 C 7.87 4.72 0.00 3.06 3.01 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 0.00 107 S 7.89 3.92 0.00 4.14 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 0.00 108 H 8.24 4.88 0.00 3.30 3.31 0.00 5.85 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.72 5.48 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.18 1.08 0.00 0.00 110 F 8.27 5.09 0.00 3.06 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 0.00 111 T 8.60 4.94 4.13 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 0.00 0.00 0.00 0.97 0.00 0.00 112 S 8.26 4.63 0.00 3.94 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 0.00 113 D 7.83 4.42 0.00 2.51 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 0.00 114 Q 8.58 4.45 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 115 K 8.19 4.23 0.00 1.73 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.44 7.81 116 N 8.77 4.54 0.00 2.80 2.75 0.00 0.00 6.97 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 0.00 117 K 8.53 4.47 0.00 1.71 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.41 7.81 118 R 8.52 4.63 0.00 1.80 1.87 0.00 3.24 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 119 T 8.48 4.41 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 1.24 0.00 0.00 120 Q 7.97 4.20 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.