NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3378 8.3149 122.1396 54.1278 32.4907 173.9151 4 L 4.5355 10.4822 124.2416 51.4291 44.2411 174.8756 5 D 4.5994 9.3545 123.4656 53.7128 41.8964 175.4880 6 L 4.6782 8.2435 125.4154 54.5817 42.8099 178.0057 7 H 4.6183 8.4498 119.0332 58.2634 30.4289 175.8871 8 Q 4.2959 7.2445 120.4667 54.8342 27.5448 175.7276 *10 T 4.1382 7.2321 109.5472 61.5832 71.8646 174.7497 11 T 3.8321 8.2977 119.0468 67.1762 68.5268 176.7896 12 Q 4.0113 8.0155 119.2404 59.0895 28.7029 178.4602 13 D 4.3880 8.0162 119.4263 57.1958 40.8411 178.7084 14 L 3.9821 8.0551 119.5708 57.8364 41.6767 179.7085 15 V 3.5246 7.8546 117.7669 65.9946 31.4525 177.9345 16 A 4.0307 8.0481 120.4600 55.1408 18.1515 179.4250 17 L 3.9176 8.3472 119.3088 57.9269 42.2190 178.6353 18 F 3.8714 8.8133 120.9418 61.4460 39.1671 177.0908 19 A 3.7908 8.1707 120.0959 54.8174 18.0844 179.4731 20 K 3.8194 7.9734 118.1460 59.9015 32.2463 179.5605 21 V 3.6214 7.9563 112.7801 64.4176 31.4031 178.6752 22 T 3.7949 7.5802 115.4866 65.9085 68.1856 177.0996 23 V 3.6166 7.8666 120.6551 66.2783 31.5160 178.0544 24 E 3.9884 8.1791 118.0868 59.1796 29.1257 179.2142 25 Q 4.1676 8.2364 118.6297 59.1462 28.9235 178.4258 26 D 4.4357 8.2091 118.6572 57.6489 41.3117 177.9070 27 D 4.4097 8.4289 119.1829 57.4099 40.8160 178.7657 28 A 4.0119 8.4506 121.3119 55.2534 18.3363 179.3252 29 L 3.8073 8.1586 117.5426 58.3153 41.5429 180.0318 30 L 4.1564 7.8101 117.0499 57.2161 41.6033 178.8524 31 G 3.9117 7.8636 102.8177 43.4861 0.0000 172.8558 32 N 4.1916 7.6640 117.3824 54.6997 38.3967 175.7757 33 Q 4.4502 8.0955 116.6982 54.3682 26.2650 175.6824 34 I 3.8762 7.6264 125.0466 64.0592 37.7878 177.6908 35 S 4.1760 8.1055 114.8018 61.5450 62.6603 176.4875 36 R 3.8602 7.9812 121.8610 58.9087 29.8545 177.8271 37 F 4.0322 8.3729 120.5053 61.5918 39.3686 176.8813 38 N 4.2668 8.4028 115.8045 56.3856 38.3473 177.7321 39 R 3.9225 7.9623 119.3739 59.2327 29.9655 178.9917 40 L 3.8765 7.8124 117.8711 57.6091 41.6086 179.1017 41 F 3.9205 7.9086 120.1137 61.0536 39.5729 176.9330 42 G 3.8912 8.0996 105.3214 47.8126 0.0000 176.4707 43 V 3.7032 7.5687 117.4813 63.2576 31.3569 177.3479 *45 A 4.1072 7.9518 121.5798 51.6971 20.5233 179.6226 46 E 3.9406 8.2267 115.3686 59.5789 29.4081 179.6939 47 I 3.6949 7.9559 119.5907 64.4124 37.1490 178.3714 48 A 4.0213 8.0120 121.0510 55.2714 18.3061 179.2372 49 D 4.2978 8.3800 117.6595 57.3757 40.3769 178.6482 50 E 3.9256 8.3495 119.8661 59.2237 29.6075 178.9037 51 L 3.8026 8.0185 119.0399 57.6258 41.6573 179.1992 52 K 4.2909 8.6151 121.0657 58.9473 31.9202 178.3036 53 A 4.2094 7.9002 118.5704 53.1095 18.8103 177.7142 54 R 4.2609 6.8863 116.8375 54.6293 31.3494 175.7306 55 D 4.4808 8.5095 119.7085 56.6667 41.0366 177.7314 56 G 3.7361 8.6847 112.2305 44.0957 0.0000 170.7165 57 D 4.4431 7.8128 122.2643 54.2689 39.2163 173.2214 58 Q 4.3811 8.7862 122.1195 55.8813 28.8304 177.4061 59 R 3.7811 8.1171 121.3341 59.5206 30.0770 178.4600 60 T 3.7234 7.6234 115.3618 66.6852 68.1212 175.9399 61 A 4.0389 8.1151 122.2186 54.3118 18.3285 179.1301 62 L 3.9226 7.8428 117.3690 56.5969 41.6544 178.9578 63 L 2.9543 7.4255 119.1856 57.6414 41.2058 179.4083 64 S 4.1504 7.3174 112.5974 60.9392 63.0121 175.7287 65 L 4.5147 7.8390 120.3789 55.3631 41.4444 178.5600 66 F 4.4951 8.1391 118.2489 60.0973 38.9527 175.8989 67 E 4.4265 8.1434 117.3859 56.0171 29.9176 175.5903 68 Y 3.8174 7.7561 121.6048 57.3148 39.6548 175.4779 69 P 4.5409 0.0000 0.0000 60.9266 30.3280 173.6675 70 N 4.5560 7.3320 117.3676 54.0493 42.2929 173.1900 *72 Q 4.2454 8.5873 116.3869 56.4445 31.0407 178.1077 73 V 3.5972 7.9549 116.4620 66.1288 31.5306 178.1561 74 R 3.9389 7.9345 117.7276 59.1136 29.8570 178.7079 75 L 3.8806 7.8117 119.4275 58.4922 42.1944 178.9894 76 Q 4.1480 8.3576 117.6787 58.8736 28.4106 178.5861 77 A 4.0516 8.3367 121.0305 55.0943 18.6065 179.3008 78 A 4.1317 8.1228 119.3130 55.2280 18.5881 179.9412 79 K 4.0095 8.5323 117.4866 59.4201 31.9841 178.6854 80 L 4.5860 7.9826 116.2441 55.3592 42.1534 177.7876 81 T 4.5165 7.4258 109.6902 61.4961 68.7730 175.8680 82 L 3.9911 7.7009 122.3095 58.1497 41.3379 179.2234 83 A 4.0343 7.8664 119.5849 54.9001 18.6473 179.3196 84 V 3.9716 7.7037 108.1856 62.2733 33.5922 176.9402 85 A 4.7539 8.0187 121.6416 49.3079 20.1611 174.7144 86 P 4.4303 0.0000 0.0000 64.6193 31.8151 179.0579 87 V 3.5578 7.7159 117.4345 65.6838 31.6324 177.8068 88 K 3.9986 8.1373 117.3911 59.5623 31.9480 178.9745 89 A 4.1182 8.4690 121.1640 55.2213 18.2677 179.6011 90 R 3.8084 8.2294 117.3498 59.5290 30.1720 178.1383 91 E 3.8898 8.3352 119.1515 59.4809 29.5213 178.6815 92 Q 3.7794 8.0247 119.3773 59.0869 28.9542 178.0889 93 L 3.8871 7.9623 120.1107 57.7561 41.5215 179.3902 94 E 3.9139 8.4544 118.5371 59.2854 29.4439 179.1417 95 A 3.9429 8.0361 120.7596 55.1592 18.1871 179.6455 96 I 3.4604 7.5756 117.1791 64.4864 37.5654 178.1752 97 V 3.6923 7.7949 119.0476 66.5802 31.0691 178.2733 98 S 4.1942 8.0889 113.3126 61.4923 62.6773 176.5972 99 S 4.2538 7.8026 115.8330 58.8767 62.8696 174.6111 100 K 3.2825 7.4810 120.0796 56.7546 30.0297 175.1801 101 W 4.3255 7.4657 129.1932 56.3803 30.1348 175.0549 102 F 5.2259 8.2924 124.9234 55.5585 40.3231 174.5375 103 P 4.9643 0.0000 0.0000 63.5428 32.2684 177.6736 104 Q 4.0537 8.5124 119.0528 59.4795 28.5826 178.5082 105 A 4.0087 8.5209 121.9803 54.8283 17.9954 179.8640 106 G 3.8326 8.2436 103.8855 47.6744 0.0000 175.3469 107 D 4.4921 8.1587 118.8527 57.2392 41.6948 177.7756 108 A 4.3121 8.4760 121.7763 54.8710 18.2180 180.0751 109 G 3.6314 7.9892 100.3072 46.0385 0.0000 174.7386 *111 C 4.3934 7.9611 122.1792 59.0962 33.3825 175.9981 112 L 4.0675 8.0287 119.4045 57.7266 41.0639 179.1421 113 D 4.3845 8.3724 119.0968 57.5012 40.7196 178.9288 114 L 4.0527 7.8785 118.7994 57.8256 41.4453 179.3770 115 L 4.1941 8.1315 118.0423 58.1072 41.6603 179.1238 116 D 4.5271 8.3030 117.9578 57.0192 40.7837 177.9832 117 D 4.4738 8.0062 118.5140 55.7312 41.3776 177.4143 118 G 4.0668 8.0588 106.3465 45.6788 0.0000 174.6185 119 T 3.9670 7.9636 115.5257 66.0240 68.7263 174.4801 120 F 4.6463 8.2847 126.0620 57.5924 40.0018 175.4287 121 K 4.1685 7.7905 128.5226 52.2712 35.4030 170.1455 122 P 4.3202 0.0000 0.0000 62.3232 32.3435 176.9644 *123 K 4.2176 8.7132 123.3966 54.7541 31.5039 173.0155 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 3 K 8.31 4.34 0.00 1.79 1.71 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 4 L 10.48 4.54 0.00 1.71 1.57 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 5 D 9.35 4.60 0.00 2.61 2.60 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 6 L 8.24 4.68 0.00 1.71 1.62 0.95 0.99 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 7 H 8.45 4.62 0.00 3.14 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.24 4.30 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.26 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 *10 T 7.23 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 1.20 0.00 0.00 11 T 8.30 3.83 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 1.17 0.00 0.00 12 Q 8.02 4.01 0.00 2.05 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 2.43 2.39 0.00 13 D 8.02 4.39 0.00 2.87 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 14 L 8.06 3.98 0.00 1.87 1.72 0.90 0.69 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 15 V 7.85 3.52 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 0.96 0.00 0.00 0.95 0.00 0.00 16 A 8.05 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 17 L 8.35 3.92 0.00 1.84 1.69 0.90 0.85 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 18 F 8.81 3.87 0.00 3.20 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 19 A 8.17 3.79 1.01 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 20 K 7.97 3.82 0.00 1.85 1.91 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.49 7.81 21 V 7.96 3.62 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 0.68 0.00 0.00 0.70 0.00 0.00 22 T 7.58 3.79 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 1.16 0.00 0.00 23 V 7.87 3.62 2.29 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 1.19 0.00 0.00 1.03 0.00 0.00 24 E 8.18 3.99 0.00 2.18 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 2.35 2.49 0.00 25 Q 8.24 4.17 0.00 2.38 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 1.98 2.42 0.00 26 D 8.21 4.44 0.00 2.89 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 27 D 8.43 4.41 0.00 2.97 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 28 A 8.45 4.01 1.62 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 0.00 0.00 29 L 8.16 3.81 0.00 1.88 1.67 0.85 -0.23 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 30 L 7.81 4.16 0.00 1.84 1.76 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.86 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 32 N 7.66 4.19 0.00 2.76 2.86 0.00 0.00 7.06 7.99 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 33 Q 8.10 4.45 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.51 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 34 I 7.63 3.88 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.14 0.95 0.00 0.00 35 S 8.11 4.18 0.00 4.07 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 36 R 7.98 3.86 0.00 1.98 2.20 0.00 3.25 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 37 F 8.37 4.03 0.00 3.26 3.29 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 38 N 8.40 4.27 0.00 2.99 2.88 0.00 0.00 7.10 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 39 R 7.96 3.92 0.00 1.86 1.95 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 40 L 7.81 3.88 0.00 1.61 1.58 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.91 3.92 0.00 2.42 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 42 G 8.10 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 43 V 7.57 3.70 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 0.93 0.00 0.00 0.91 0.00 0.00 *45 A 7.95 4.11 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 46 E 8.23 3.94 0.00 2.15 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 2.31 2.57 0.00 47 I 7.96 3.69 1.98 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 1.47 0.81 1.08 0.00 0.00 48 A 8.01 4.02 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 49 D 8.38 4.30 0.00 2.82 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 50 E 8.35 3.93 0.00 2.08 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 0.00 2.29 2.36 0.00 51 L 8.02 3.80 0.00 1.86 1.60 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.62 4.29 0.00 1.78 1.96 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.32 7.81 53 A 7.90 4.21 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 54 R 6.89 4.26 0.00 1.86 1.81 0.00 3.12 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 55 D 8.51 4.48 0.00 2.64 2.64 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 0.00 0.00 0.00 56 G 8.68 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.81 4.44 0.00 2.85 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 58 Q 8.79 4.38 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.52 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 59 R 8.12 3.78 0.00 1.92 1.93 0.00 3.34 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 60 T 7.62 3.72 4.17 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 1.13 0.00 0.00 61 A 8.12 4.04 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 62 L 7.84 3.92 0.00 1.54 1.32 0.40 -0.20 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 63 L 7.43 2.95 0.00 1.48 1.21 0.75 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.32 4.15 0.00 3.93 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 65 L 7.84 4.51 0.00 1.90 1.81 0.89 0.94 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 66 F 8.14 4.50 0.00 2.87 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 E 8.14 4.43 0.00 1.98 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 2.35 0.00 68 Y 7.76 3.82 0.00 3.10 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 69 P 0.00 4.54 0.00 2.12 1.94 0.00 2.22 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 70 N 7.33 4.56 0.00 2.97 2.96 0.00 0.00 6.64 6.83 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 *72 Q 8.59 4.25 0.00 2.28 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.62 6.68 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 73 V 7.95 3.60 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 0.87 0.00 0.00 0.73 0.00 0.00 74 R 7.93 3.94 0.00 1.80 1.83 0.00 3.02 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.95 0.00 75 L 7.81 3.88 0.00 1.72 1.84 0.93 0.91 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 76 Q 8.36 4.15 0.00 2.30 2.29 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 2.61 2.53 0.00 77 A 8.34 4.05 1.60 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 78 A 8.12 4.13 1.06 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 0.00 0.00 79 K 8.53 4.01 0.00 2.02 2.00 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.64 7.81 80 L 7.98 4.59 0.00 1.80 1.73 1.17 0.72 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 81 T 7.43 4.52 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 1.24 0.00 0.00 82 L 7.70 3.99 0.00 1.82 1.78 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.87 4.03 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 84 V 7.70 3.97 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 0.80 0.00 0.00 0.92 0.00 0.00 85 A 8.02 4.75 1.22 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 0.00 0.00 86 P 0.00 4.43 0.00 2.28 2.41 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.87 0.00 87 V 7.72 3.56 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 1.08 0.00 0.00 0.94 0.00 0.00 88 K 8.14 4.00 0.00 1.92 2.06 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.55 7.81 89 A 8.47 4.12 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 90 R 8.23 3.81 0.00 1.96 2.14 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 91 E 8.34 3.89 0.00 2.18 2.17 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 2.32 2.34 0.00 92 Q 8.02 3.78 0.00 1.58 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 93 L 7.96 3.89 0.00 1.86 1.68 0.96 0.77 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 94 E 8.45 3.91 0.00 2.14 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 2.33 2.47 0.00 95 A 8.04 3.94 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 96 I 7.58 3.46 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.81 0.00 0.00 97 V 7.79 3.69 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 1.05 0.00 0.00 1.07 0.00 0.00 98 S 8.09 4.19 0.00 3.99 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 99 S 7.80 4.25 0.00 4.13 4.09 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 0.00 100 K 7.48 3.28 0.00 1.94 1.94 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.54 7.81 101 W 7.47 4.33 0.00 3.37 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 0.00 102 F 8.29 5.23 0.00 3.08 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 0.00 103 P 0.00 4.96 0.00 2.29 2.35 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 104 Q 8.51 4.05 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 105 A 8.52 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.24 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 0.00 0.00 0.00 107 D 8.16 4.49 0.00 2.74 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 0.00 108 A 8.48 4.31 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 0.00 109 G 7.99 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 *111 C 7.96 4.39 0.00 3.12 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 0.00 112 L 8.03 4.07 0.00 1.94 1.73 0.93 0.94 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 0.00 113 D 8.37 4.38 0.00 2.68 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 0.00 114 L 7.88 4.05 0.00 1.78 1.65 0.53 0.56 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 0.00 115 L 8.13 4.19 0.00 1.90 1.81 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.30 4.53 0.00 2.81 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 0.00 117 D 8.01 4.47 0.00 2.71 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 0.00 118 G 8.06 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 0.00 119 T 7.96 3.97 4.37 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 1.26 0.00 0.00 120 F 8.28 4.65 0.00 2.95 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 0.00 121 K 7.79 4.17 0.00 1.75 1.49 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.25 1.02 7.81 122 P 0.00 4.32 0.00 1.92 1.92 0.00 3.33 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.52 0.00 *123 K 8.71 4.22 0.00 1.82 2.01 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.19 0.91 7.81 * Residues marked with a * may have inaccurate shift predictions.