NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4318 8.3044 120.3256 55.4341 33.5991 177.7563 2 N 4.4735 8.6589 122.9333 52.0317 37.1816 171.3692 3 L 4.0156 8.3352 126.5787 58.1348 42.6000 179.0322 4 K 3.9707 8.0066 122.6584 59.9952 31.7313 180.8097 5 Q 4.1932 8.1787 119.1308 58.6848 28.6560 178.7101 6 I 3.6432 7.9326 120.6250 64.3666 37.1121 178.2556 7 A 3.9724 8.2126 121.6901 54.9774 18.1281 179.5319 8 K 3.8495 7.9646 117.9474 59.9517 32.3702 178.6902 9 D 4.3573 8.6177 119.4005 57.6033 40.6358 179.0813 10 T 3.7840 8.3843 116.3346 66.5362 68.4929 176.1890 11 A 4.0608 8.3836 125.4372 56.0871 18.3856 180.4624 12 K 4.0089 8.3073 122.0815 60.1702 31.6689 181.3365 13 T 4.0430 7.9884 116.7924 66.3993 68.3601 176.2601 14 L 3.9686 8.2074 122.7620 58.6381 42.1537 178.9587 15 Q 3.9947 8.5576 119.5152 59.1436 28.9584 178.2142 16 S 4.1413 8.2158 114.3450 61.5316 62.5214 175.4204 17 Y 3.9917 8.5089 122.7132 60.7728 38.4722 178.1524 18 L 4.1006 8.4701 120.1207 57.7043 41.6299 179.4639 19 T 3.8615 7.8733 115.6118 66.8911 68.5975 175.6258 20 Y 3.8456 7.9570 121.2516 60.9969 38.3135 178.2303 21 Q 3.7693 8.0758 119.9148 58.6012 29.2118 177.7130 22 A 3.9719 8.3878 122.4014 55.0261 18.4085 179.0265 23 L 3.8481 8.0354 119.1527 58.6250 42.1259 179.3295 24 R 3.7756 7.4603 117.4573 59.5605 29.9771 179.0475 25 T 4.1351 7.6254 108.9871 64.0839 68.9232 177.4374 26 V 3.7559 7.7196 122.0144 64.6243 31.9102 177.8941 27 L 3.8561 8.2070 121.4832 57.3909 41.4954 178.0548 28 A 4.6225 7.2613 116.5768 52.7007 20.2012 178.3199 29 Q 4.1117 7.9677 116.8201 58.3228 28.6351 177.9920 30 L 4.2230 8.2055 119.4955 56.4442 42.0080 178.1036 31 G 3.9032 7.4092 106.4400 48.6395 0.0000 174.0016 32 E 4.0276 7.6089 119.6411 58.5454 29.7406 176.7299 33 T 4.5327 7.1072 119.2174 62.2433 69.6149 175.0094 34 N 4.9397 7.5033 133.7138 52.8310 41.0163 172.5794 35 P 4.3690 0.0000 0.0000 64.4186 31.7096 176.4874 36 P 4.2697 0.0000 0.0000 65.9231 30.9065 177.8463 37 L 3.9405 9.4479 121.7876 57.4044 41.8879 178.6103 38 A 4.1806 8.5414 123.3570 56.0756 18.2652 180.3054 39 L 3.9197 8.5785 120.9789 59.1632 40.9860 180.8896 40 W 4.4137 8.9568 129.8068 60.3327 30.6451 177.6880 41 L 4.1753 8.9761 120.6217 58.5708 41.0602 178.0314 42 H 4.0300 9.0938 121.3093 60.2109 29.5125 177.2831 43 N 4.3107 8.6760 120.3794 57.6220 37.5099 178.4580 44 F 3.9972 7.9429 122.3070 60.9573 39.3202 177.1403 45 S 4.5059 7.9097 113.9566 60.1867 63.0748 175.1116 46 A 3.7980 6.9345 122.7910 53.1672 18.4196 176.0673 47 G 3.6695 8.6815 107.6269 44.1096 0.0000 173.5994 *50 Q 4.0474 8.1435 118.0851 54.9173 29.7359 175.5137 51 D 4.4662 8.0450 117.9558 55.2450 42.5942 176.3990 52 G 3.7181 9.2603 114.6393 47.8683 0.0000 175.2848 53 E 4.1952 8.6357 123.1927 59.7663 29.4774 180.0573 54 K 4.1124 8.2160 123.4707 59.5379 31.9483 180.8123 55 Y 4.3388 8.3349 120.6582 61.0066 38.7785 178.5663 56 I 3.7900 8.0043 122.5255 65.0832 37.0089 178.9678 57 E 4.0807 8.0194 118.0283 61.0117 29.6596 180.6846 58 E 4.4802 8.1199 117.9195 59.4184 29.6541 178.9665 59 L 3.6941 7.9943 120.2182 57.7220 41.7836 178.7957 60 F 3.8518 7.9103 120.2207 61.0120 39.3733 176.8678 61 L 4.1828 7.6481 116.6155 57.0315 41.4269 178.7575 62 E 4.4428 7.9410 117.2021 57.2274 31.3075 177.3627 63 K 4.2374 7.8001 120.8160 52.4045 33.3868 174.7904 64 P 3.2886 0.0000 0.0000 65.2600 31.2913 177.5021 65 D 4.2141 7.7650 116.8475 55.8482 38.9990 177.8729 66 L 4.0471 7.9502 121.9339 57.2552 42.1887 178.3604 67 A 4.0839 7.7165 120.4376 55.1335 18.3290 179.4526 68 L 4.0715 8.2491 117.7714 57.8492 41.6568 179.6640 69 R 3.9196 7.8808 118.8543 59.0006 29.9079 178.7637 70 I 3.7779 7.5547 119.7579 64.5392 37.4059 177.8261 71 M 3.9867 8.2413 119.8959 59.1422 31.8759 179.2104 72 T 3.9262 8.2320 115.6326 66.6526 68.5414 177.0940 73 V 3.6883 7.9531 120.5048 65.6945 31.5813 178.1340 74 R 3.9291 8.6966 116.4084 59.4588 29.0708 178.5363 75 E 3.9409 8.1226 119.7456 58.9903 29.6886 178.0965 76 H 4.1269 8.3146 118.2910 59.3626 29.9314 177.0071 77 I 3.6179 8.0485 121.4048 64.4121 36.9431 177.8699 78 A 4.0286 8.0105 121.2403 55.5908 17.9944 179.1635 79 E 3.8822 8.1781 115.6021 60.0614 29.6625 179.5447 80 E 4.1691 7.9078 117.1510 58.8458 29.9374 178.5889 81 I 4.4313 8.0052 111.8116 62.1737 38.2891 177.5467 82 A 4.0532 8.2054 123.5673 55.3098 17.9183 179.1938 83 E 3.8543 7.9383 113.9447 58.7017 30.1493 178.3928 84 F 4.5095 8.0658 118.6021 59.2003 39.2404 177.6466 85 L 4.0383 7.6827 119.2541 57.5190 41.4656 177.5037 86 P 4.2425 0.0000 0.0000 65.8702 31.3389 178.3446 87 E 3.9993 8.1952 116.5082 59.8149 29.3841 179.2791 88 M 4.0866 8.2480 118.6146 58.3007 31.9223 179.0805 89 V 3.5295 8.0749 118.5071 65.9318 31.8558 177.9759 90 V 3.5849 7.8282 118.1778 66.5422 31.3156 178.2055 91 T 4.2189 8.1855 109.3957 64.5809 68.6262 176.7515 92 G 3.5739 8.3276 108.8364 47.7010 0.0000 175.8551 93 I 3.7672 8.0804 122.4837 64.1500 37.1723 178.4715 94 Q 3.9565 8.1320 118.9058 59.0223 28.5216 179.0457 95 Q 3.9561 8.3377 118.8453 58.9825 28.9535 178.7259 96 A 3.9724 8.1009 121.7266 55.0718 18.5317 179.0875 97 N 4.2114 8.8126 115.6151 56.9816 38.6854 177.2720 98 M 4.0296 8.0131 119.1375 58.6492 32.3876 177.8611 99 E 3.9675 8.8622 119.6539 59.0337 29.5785 178.9625 100 K 4.0659 7.8946 118.4708 59.2934 32.0830 179.5332 101 R 3.9753 7.8785 118.2086 59.2407 29.8979 179.2935 102 R 3.9695 8.2363 118.0328 59.1632 30.0318 179.0983 103 Q 3.9763 8.1703 118.0412 59.2779 28.7432 178.3434 104 H 4.1476 8.0441 119.4105 58.9072 29.8749 177.1665 105 L 3.9784 8.2883 124.7623 58.8397 42.0059 179.3630 106 E 4.0197 8.3900 118.4958 61.1383 29.6120 181.1104 107 R 4.0641 8.0221 118.9848 59.3883 30.0992 178.8592 108 M 3.9910 7.8930 118.3564 58.9274 32.1487 178.9201 109 T 3.9056 8.5618 118.3193 67.5176 68.4046 177.3373 110 Q 4.1269 8.2215 121.8017 59.8774 28.1339 180.4312 111 V 3.9556 7.6296 118.7488 66.2554 31.8838 178.3673 112 S 4.3129 8.2047 112.9821 60.2932 61.4956 175.4144 113 L 4.6927 7.4709 118.5254 54.4713 42.7226 177.8396 114 S 4.0326 8.1355 114.0495 58.8986 63.4127 173.7602 115 H 4.2354 7.3134 121.0210 56.3482 29.0968 174.4308 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 1 M 8.30 4.43 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 N 8.66 4.47 0.00 2.91 2.71 0.00 0.00 6.87 5.78 0.00 0.00 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 8.34 4.02 0.00 1.72 1.72 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.01 3.97 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.11 7.81 5 Q 8.18 4.19 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 6 I 7.93 3.64 2.01 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 1.45 0.85 0.90 0.00 0.00 7 A 8.21 3.97 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 8 K 7.96 3.85 0.00 1.86 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 D 8.62 4.36 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.38 3.78 4.38 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 1.20 0.00 0.00 11 A 8.38 4.06 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 12 K 8.31 4.01 0.00 1.76 1.84 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.36 7.81 13 T 7.99 4.04 4.39 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 1.19 0.00 0.00 14 L 8.21 3.97 0.00 1.96 1.84 0.91 0.71 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 15 Q 8.56 3.99 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 16 S 8.22 4.14 0.00 4.14 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 17 Y 8.51 3.99 0.00 3.15 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 18 L 8.47 4.10 0.00 1.80 1.76 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.87 3.86 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 1.38 0.00 0.00 20 Y 7.96 3.85 0.00 2.95 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 21 Q 8.08 3.77 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 22 A 8.39 3.97 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 23 L 8.04 3.85 0.00 1.60 1.62 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.46 3.78 0.00 1.91 1.84 0.00 2.93 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.13 0.00 25 T 7.63 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 26 V 7.72 3.76 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 1.05 0.00 0.00 0.95 0.00 0.00 27 L 8.21 3.86 0.00 2.02 1.87 1.03 0.86 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 28 A 7.26 4.62 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 29 Q 7.97 4.11 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 30 L 8.21 4.22 0.00 1.62 1.74 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.41 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 0.00 0.00 0.00 32 E 7.61 4.03 0.00 2.19 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 2.40 2.49 0.00 33 T 7.11 4.53 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 34 N 7.50 4.94 0.00 2.82 2.81 0.00 0.00 7.02 7.27 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 35 P 0.00 4.37 0.00 2.32 2.31 0.00 3.78 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 2.08 2.03 0.00 36 P 0.00 4.27 0.00 2.30 2.39 0.00 3.66 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 2.37 2.05 0.00 37 L 9.45 3.94 0.00 1.88 1.89 0.73 1.06 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 38 A 8.54 4.18 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 39 L 8.58 3.92 0.00 1.62 1.69 0.92 1.12 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 40 W 8.96 4.41 0.00 3.50 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.98 4.18 0.00 2.18 2.01 1.20 1.04 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 42 H 9.09 4.03 0.00 3.47 3.44 0.00 5.84 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 43 N 8.68 4.31 0.00 2.79 2.73 0.00 0.00 7.11 7.31 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 44 F 7.94 4.00 0.00 1.51 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 S 7.91 4.51 0.00 4.05 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 46 A 6.93 3.80 1.23 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 0.00 0.00 0.00 47 G 8.68 3.67 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 0.00 0.00 0.00 *50 Q 8.14 4.05 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 51 D 8.04 4.47 0.00 2.85 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 52 G 9.26 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 53 E 8.64 4.20 0.00 2.07 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 2.37 2.49 0.00 54 K 8.22 4.11 0.00 1.76 1.81 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.06 7.81 55 Y 8.33 4.34 0.00 3.15 3.26 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 56 I 8.00 3.79 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.13 1.00 0.00 0.00 57 E 8.02 4.08 0.00 2.09 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 2.26 2.23 0.00 58 E 8.12 4.48 0.00 2.29 2.27 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 2.39 2.50 0.00 59 L 7.99 3.69 0.00 1.39 1.64 0.70 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.91 3.85 0.00 3.29 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 61 L 7.65 4.18 0.00 1.91 1.78 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 62 E 7.94 4.44 0.00 1.84 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 0.00 2.60 2.65 0.00 63 K 7.80 4.24 0.00 1.30 1.35 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.88 0.87 7.81 64 P 0.00 3.29 0.00 1.76 1.23 0.00 3.34 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 65 D 7.77 4.21 0.00 2.77 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 66 L 7.95 4.05 0.00 1.62 1.67 0.89 0.89 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 67 A 7.72 4.08 1.53 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 0.00 0.00 68 L 8.25 4.07 0.00 1.86 1.78 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.88 3.92 0.00 1.99 2.06 0.00 3.13 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 70 I 7.55 3.78 2.13 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.84 1.06 0.00 0.00 71 M 8.24 3.99 0.00 2.10 2.39 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.68 0.00 72 T 8.23 3.93 4.38 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 1.22 0.00 0.00 73 V 7.95 3.69 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 1.15 0.00 0.00 0.97 0.00 0.00 74 R 8.70 3.93 0.00 2.08 2.35 0.00 2.90 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 75 E 8.12 3.94 0.00 2.21 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 0.00 2.34 2.34 0.00 76 H 8.31 4.13 0.00 3.38 3.47 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.05 3.62 2.05 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 0.84 0.96 0.00 0.00 78 A 8.01 4.03 1.41 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 0.00 0.00 79 E 8.18 3.88 0.00 2.01 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 0.00 2.69 2.50 0.00 80 E 7.91 4.17 0.00 2.12 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 2.38 2.27 0.00 81 I 8.01 4.43 1.99 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 1.67 0.92 0.98 0.00 0.00 82 A 8.21 4.05 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 83 E 7.94 3.85 0.00 1.85 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 1.61 1.47 0.00 84 F 8.07 4.51 0.00 3.30 3.14 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 85 L 7.68 4.04 0.00 1.81 1.76 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.24 0.00 2.15 2.10 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 87 E 8.20 4.00 0.00 2.06 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 0.00 2.42 2.43 0.00 88 M 8.25 4.09 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.59 0.00 89 V 8.07 3.53 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 1.07 0.00 0.00 1.01 0.00 0.00 90 V 7.83 3.58 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 1.00 0.00 0.00 0.94 0.00 0.00 91 T 8.19 4.22 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 1.27 0.00 0.00 92 G 8.33 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 93 I 8.08 3.77 1.94 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 1.51 0.89 0.90 0.00 0.00 94 Q 8.13 3.96 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 95 Q 8.34 3.96 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 96 A 8.10 3.97 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 97 N 8.81 4.21 0.00 3.02 2.89 0.00 0.00 6.68 8.14 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 98 M 8.01 4.03 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 99 E 8.86 3.97 0.00 2.12 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 2.31 2.35 0.00 100 K 7.89 4.07 0.00 2.16 1.83 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 101 R 7.88 3.98 0.00 1.90 1.98 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 102 R 8.24 3.97 0.00 1.83 1.98 0.00 3.30 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 103 Q 8.17 3.98 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 104 H 8.04 4.15 0.00 3.33 3.47 0.00 5.78 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 0.00 105 L 8.29 3.98 0.00 1.90 1.81 0.92 0.89 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 0.00 106 E 8.39 4.02 0.00 2.00 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 2.25 2.23 0.00 107 R 8.02 4.06 0.00 2.01 1.95 0.00 3.31 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 108 M 7.89 3.99 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 109 T 8.56 3.91 4.50 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 1.24 0.00 0.00 110 Q 8.22 4.13 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 111 V 7.63 3.96 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 0.99 0.00 0.00 0.96 0.00 0.00 112 S 8.20 4.31 0.00 3.87 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 0.00 113 L 7.47 4.69 0.00 1.78 1.65 0.92 0.80 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 0.00 114 S 8.14 4.03 0.00 3.88 3.79 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 0.00 115 H 7.31 4.24 0.00 3.43 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.91 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.