NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.4806 8.2493 123.5896 52.2389 20.3583 178.9522 18 T 4.6333 8.9157 112.4721 60.2549 69.4632 173.2183 19 Y 4.8435 10.6898 121.6941 56.0747 42.1355 174.0465 20 P 4.2026 0.0000 0.0000 58.6872 31.6711 174.8957 21 M 4.7719 8.6515 122.6152 54.3456 36.3110 173.8143 22 Q 4.6802 8.6613 123.9072 55.8866 29.6794 177.0662 23 C 4.0818 10.4327 123.0579 62.2498 31.7897 174.8158 24 S 4.2409 7.9793 112.7241 59.9898 62.3874 175.1402 25 A 4.1120 8.0355 122.9937 55.3114 18.3704 178.1458 26 L 4.1275 7.6160 113.6248 55.2583 42.3654 175.9711 27 R 4.5977 7.9214 118.9445 54.2010 33.4881 173.9035 28 K 3.9841 8.3289 118.4805 58.3573 32.2265 177.3587 29 N 4.3279 9.4751 120.2508 53.2958 38.0325 174.8274 30 G 3.6182 7.5788 105.4619 46.0984 0.0000 172.2560 31 F 5.7384 8.2811 117.6470 55.7305 42.2444 175.6315 32 V 4.4504 9.0713 120.4649 60.4914 35.1141 173.3779 33 V 4.5148 8.8647 124.4148 62.0459 32.2791 175.2735 34 I 4.4639 8.7209 129.5153 60.5972 39.8307 176.1030 35 K 4.1539 9.4628 124.7459 58.2172 29.8084 174.7516 36 S 3.7604 8.1681 107.0999 59.1258 60.7703 173.1146 37 R 4.8086 7.8126 118.4903 54.1971 34.1701 172.3456 38 P 5.0417 0.0000 0.0000 62.9319 32.9896 174.8728 39 C 5.3326 9.5284 120.9169 57.7185 32.8941 172.8989 40 K 4.7346 9.3818 123.4438 55.6937 33.6610 175.8041 41 I 4.1470 8.7704 128.8958 61.5971 37.5549 176.1979 42 V 4.0161 8.5410 126.6877 64.1415 32.8267 175.1929 43 D 4.9428 8.7489 119.0238 52.8832 44.9347 173.6302 44 M 5.6387 8.0958 120.9347 54.5323 35.8717 173.6250 45 S 4.7788 8.3743 118.1571 58.0638 68.4359 173.2984 46 T 4.8745 8.1688 110.6947 61.3278 69.2616 173.6232 47 S 4.4912 8.5537 123.5530 58.1107 63.3099 174.0758 48 K 4.1531 8.5999 121.2191 59.2503 33.1603 177.4782 49 T 3.7644 7.7496 112.4977 62.2540 67.4088 172.4674 50 G 4.1652 8.6940 115.3481 44.9064 0.0000 174.0719 51 K 4.4488 7.3573 118.3444 55.1988 31.5486 176.2842 *56 K 4.1876 7.8749 117.3490 57.2232 34.2968 176.4322 57 V 4.2978 8.4106 126.1431 62.2215 32.9417 174.2805 58 H 4.9197 8.9101 128.7754 54.8595 31.4001 172.9745 59 L 4.8159 8.7958 127.7005 53.2075 43.5800 175.9411 60 V 4.6124 8.9556 125.3336 61.2319 33.2251 174.4614 61 A 5.0555 9.3863 129.9277 50.4595 22.8113 174.5413 62 I 4.6471 8.4745 123.7137 59.9108 39.0371 175.3482 63 D 5.0569 8.7702 127.1199 53.2811 40.3785 177.1262 64 I 4.0650 8.6367 113.9480 61.6579 37.7112 175.8123 65 F 4.5524 8.9772 119.3687 58.9146 41.4024 176.9120 66 T 3.9864 8.5791 115.3007 65.6795 69.9765 175.3470 67 G 4.1773 9.5117 114.4701 46.9264 0.0000 175.5251 68 K 4.9787 7.1515 120.9852 52.7861 28.9729 173.4021 69 K 3.8754 8.3244 124.1641 57.0386 32.6262 175.2075 70 L 4.9212 9.3981 126.7434 53.0388 44.9439 175.3587 71 E 5.2081 8.6042 120.5572 55.0289 33.1684 174.6609 72 D 4.6843 8.6367 119.1119 53.1225 45.3488 173.8029 73 L 5.1880 8.5436 126.4487 53.5929 44.4274 175.4037 74 S 4.7742 8.6687 121.6980 55.5778 67.1932 171.7993 75 P 4.5173 0.0000 0.0000 62.9668 32.0119 177.3741 76 S 4.0089 8.9541 117.9176 62.0027 63.5178 176.7550 77 T 3.8064 8.3922 109.6298 65.2274 68.8004 173.6097 78 H 3.8354 7.2285 121.5054 52.9808 31.8194 173.0103 79 N 5.2112 8.3860 122.3166 52.1620 40.0626 174.0644 80 M 4.6358 8.7071 124.2397 53.6644 34.7166 175.5852 81 E 4.5063 8.6804 122.3042 56.2765 31.1671 175.6460 82 V 4.5089 9.6007 124.6795 60.3264 33.7773 173.1685 83 P 4.8422 0.0000 0.0000 62.1359 32.8222 175.9902 84 V 4.1945 8.3182 113.9939 60.6108 32.7561 176.2897 85 V 4.2531 7.8495 121.2592 60.9363 33.0355 174.8655 86 K 4.3045 9.2315 128.2313 55.7406 33.5198 176.2730 87 R 4.8147 8.5619 124.0427 54.6817 31.9286 175.0813 88 N 4.6409 8.6248 121.7796 51.4192 41.4966 174.4378 89 E 4.2848 8.4622 124.7547 55.4459 28.4219 174.9561 90 Y 4.6224 8.2738 120.7740 56.8504 40.4903 174.3551 91 Q 4.6510 8.2511 123.8914 55.7863 30.3259 175.5567 92 L 4.3172 9.0273 126.6201 55.0778 42.1008 174.9260 93 L 4.6139 8.7824 119.2105 55.6400 44.7791 175.6583 94 D 5.2294 8.1522 117.5685 52.6382 44.4150 174.4254 95 I 3.6756 7.3642 123.7564 62.0414 37.6182 177.8782 96 D 4.1842 7.6199 123.0643 55.7747 42.3310 177.6685 97 D 4.1371 7.7365 117.5054 52.3439 41.1175 172.5198 98 G 3.1230 7.3989 109.0228 44.8358 0.0000 173.1211 99 F 6.2709 8.1037 131.9549 58.3014 41.2627 172.1778 100 L 4.7185 7.8626 128.9121 55.3836 45.9448 174.7592 101 S 4.5136 7.5673 112.7201 60.8469 64.0528 173.5917 102 L 4.2406 6.7333 117.6054 53.7674 43.9586 173.8834 103 M 4.9940 7.8813 118.5456 54.8083 33.0622 172.4837 104 N 5.6611 8.2922 115.8734 53.0132 42.1170 172.0788 105 M 3.8644 9.4024 120.4911 56.7778 33.0958 180.7065 106 D 3.8696 8.8039 118.8053 54.3086 43.7261 176.5046 107 G 3.9829 8.8675 121.6025 45.6889 0.0000 173.1529 108 D 4.8700 8.6484 118.5779 54.3816 43.4037 175.4800 109 T 4.4851 8.5020 114.4600 62.6381 73.0093 173.5693 110 K 4.6720 7.6674 122.3826 55.3941 34.2992 175.3653 111 D 4.8005 8.4633 116.2774 55.6093 43.6956 177.1437 112 D 4.6273 7.8555 118.6930 53.5118 41.3155 172.7185 113 V 3.2706 8.4508 123.4260 61.7434 32.2740 172.2486 114 K 3.4085 8.0874 115.8535 56.6145 35.4251 176.0300 115 A 3.7939 8.2643 122.1623 52.6104 17.8651 177.9651 116 P 3.1801 0.0000 0.0000 59.2878 34.5073 179.9129 117 E 3.5332 8.6076 121.7736 56.5377 28.6481 178.1496 118 G 4.0535 9.1002 115.0433 46.3585 0.0000 175.3059 119 E 3.6593 9.3018 121.9146 56.5582 29.4898 175.4545 120 L 3.9641 9.8328 118.1466 58.7448 42.5960 181.1333 121 G 3.7122 6.7896 104.9335 47.2114 0.0000 174.3275 122 D 4.4822 7.6085 117.0622 53.6843 45.2873 179.9138 123 S 3.5826 8.8068 111.4395 59.0381 62.8440 173.8336 124 L 4.4137 5.8159 116.8388 58.6099 42.7486 176.3285 125 Q 4.0809 7.9449 117.9970 59.3420 29.1367 177.5013 126 T 4.1785 8.5681 112.0354 64.2653 67.8257 177.0330 127 A 3.2801 9.0935 115.9726 52.7866 19.7697 177.2644 128 F 4.3375 8.3984 117.6370 58.0108 42.5258 176.7412 129 D 4.3872 8.5216 119.8153 56.5374 39.9992 175.1378 130 E 4.0528 8.1169 115.7965 56.8080 29.7589 177.8770 131 G 4.3073 8.0349 107.7757 45.8439 0.0000 173.4189 132 K 4.2284 7.8357 125.1184 54.3986 32.8271 173.9211 133 D 4.4835 8.4329 126.7057 52.9296 40.4105 175.4597 134 L 4.6973 8.2560 123.2087 52.9739 45.3114 174.7216 135 M 4.7313 8.2578 121.1133 54.0460 33.9783 174.6434 136 V 5.5222 9.2180 126.7757 60.1762 34.3217 174.7597 137 T 4.5601 8.6006 119.1762 61.6162 70.5435 173.4057 138 I 5.1750 8.9917 117.5224 59.1753 40.9566 174.1943 139 I 4.9440 9.2516 118.3686 58.5205 40.4228 174.7429 140 S 4.8340 8.5670 118.4363 56.8926 64.5288 173.6347 141 A 4.4381 8.8501 129.4062 50.9232 18.2348 176.5814 142 M 3.1117 8.0907 119.3261 56.0799 32.3932 177.7967 143 G 3.9838 7.8334 106.8483 47.2029 0.0000 173.1817 144 E 4.0892 7.8979 119.8470 55.4275 30.3519 175.3731 145 E 5.6595 8.3216 118.2247 55.4005 33.4215 173.8784 146 A 4.5192 8.0170 120.0978 51.7509 23.2276 176.1575 147 A 4.6447 8.6469 121.7625 52.4596 19.2767 176.5432 148 I 4.6487 8.5572 111.0809 62.1330 42.2188 175.5296 149 S 4.7874 8.5043 120.1773 56.6048 64.9833 172.5415 150 F 5.3928 8.6473 123.9459 56.5044 42.1423 174.3116 151 K 4.4743 9.1716 126.8005 56.9526 31.9879 175.4306 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 17 A 8.25 4.48 1.18 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 0.00 0.00 0.00 0.00 0.00 18 T 8.92 4.63 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 1.24 0.00 0.00 19 Y 10.69 4.84 0.00 2.91 2.96 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 20 P 0.00 4.20 0.00 2.04 2.00 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 21 M 8.65 4.77 0.00 2.08 1.76 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 2.65 2.58 0.00 22 Q 8.66 4.68 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.64 2.37 0.00 23 C 10.43 4.08 0.00 3.12 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 24 S 7.98 4.24 0.00 3.95 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 25 A 8.04 4.11 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 26 L 7.62 4.13 0.00 1.61 1.58 0.89 0.75 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 27 R 7.92 4.60 0.00 1.74 1.68 0.00 3.19 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 28 K 8.33 3.98 0.00 1.72 1.70 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.53 1.46 7.81 29 N 9.48 4.33 0.00 2.69 2.87 0.00 0.00 6.95 7.53 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 30 G 7.58 3.62 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 0.00 31 F 8.28 5.74 0.00 2.91 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 32 V 9.07 4.45 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 0.67 0.00 0.00 0.93 0.00 0.00 33 V 8.86 4.51 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 0.81 0.00 0.00 0.94 0.00 0.00 34 I 8.72 4.46 1.88 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 1.30 1.19 0.94 0.00 0.00 35 K 9.46 4.15 0.00 1.86 1.85 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 36 S 8.17 3.76 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 37 R 7.81 4.81 0.00 1.94 1.74 0.00 3.35 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 38 P 0.00 5.04 0.00 2.20 2.22 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 39 C 9.53 5.33 0.00 2.93 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 40 K 9.38 4.73 0.00 1.96 1.68 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.24 7.81 41 I 8.77 4.15 1.93 0.00 0.00 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 1.11 0.93 0.84 0.00 0.00 42 V 8.54 4.02 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 0.74 0.00 0.00 0.91 0.00 0.00 43 D 8.75 4.94 0.00 2.64 2.38 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 44 M 8.10 5.64 0.00 2.11 1.80 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 45 S 8.37 4.78 0.00 3.81 3.73 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 46 T 8.17 4.87 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 1.21 0.00 0.00 47 S 8.55 4.49 0.00 3.92 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 48 K 8.60 4.15 0.00 1.90 1.91 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.41 7.81 49 T 7.75 3.76 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 1.20 0.00 0.00 50 G 8.69 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 0.00 0.00 0.00 0.00 51 K 7.36 4.45 0.00 1.91 1.93 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.52 7.81 *56 K 7.87 4.19 0.00 1.76 1.84 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.59 7.81 57 V 8.41 4.30 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 1.15 0.00 0.00 0.94 0.00 0.00 58 H 8.91 4.92 0.00 3.20 3.17 0.00 5.71 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.80 4.82 0.00 1.59 1.51 0.96 0.48 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 60 V 8.96 4.61 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 0.92 0.00 0.00 0.82 0.00 0.00 61 A 9.39 5.06 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 62 I 8.47 4.65 1.87 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 1.29 0.89 0.97 0.00 0.00 63 D 8.77 5.06 0.00 3.03 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 64 I 8.64 4.07 1.65 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.46 0.99 0.00 0.00 65 F 8.98 4.55 0.00 3.04 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 66 T 8.58 3.99 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 1.25 0.00 0.00 67 G 9.51 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.15 4.98 0.00 1.78 1.94 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 69 K 8.32 3.88 0.00 1.81 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.51 7.81 70 L 9.40 4.92 0.00 1.80 1.51 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.60 5.21 0.00 1.83 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 2.20 2.27 0.00 72 D 8.64 4.68 0.00 2.71 2.41 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 73 L 8.54 5.19 0.00 1.66 1.51 0.92 0.84 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 74 S 8.67 4.77 0.00 3.70 3.51 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 0.00 0.00 0.00 0.00 75 P 0.00 4.52 0.00 2.11 2.03 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 76 S 8.95 4.01 0.00 3.90 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 0.00 77 T 8.39 3.81 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 1.22 0.00 0.00 78 H 7.23 3.84 0.00 3.24 3.39 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.39 5.21 0.00 2.58 2.72 0.00 0.00 6.92 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 80 M 8.71 4.64 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.70 0.00 81 E 8.68 4.51 0.00 1.91 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 2.39 2.31 0.00 82 V 9.60 4.51 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 0.43 0.00 0.00 0.82 0.00 0.00 83 P 0.00 4.84 0.00 2.11 2.04 0.00 3.91 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 84 V 8.32 4.19 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 0.97 0.00 0.00 85 V 7.85 4.25 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 0.50 0.00 0.00 0.29 0.00 0.00 86 K 9.23 4.30 0.00 1.76 1.69 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.40 7.81 87 R 8.56 4.81 0.00 1.62 1.82 0.00 3.13 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 88 N 8.62 4.64 0.00 2.54 2.08 0.00 0.00 6.59 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 89 E 8.46 4.28 0.00 1.72 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 90 Y 8.27 4.62 0.00 3.02 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 91 Q 8.25 4.65 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 92 L 9.03 4.32 0.00 1.65 1.71 0.85 0.91 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 93 L 8.78 4.61 0.00 1.69 1.66 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.15 5.23 0.00 2.70 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 95 I 7.36 3.68 1.64 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.36 0.87 0.00 0.00 96 D 7.62 4.18 0.00 2.62 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 97 D 7.74 4.14 0.00 2.75 2.44 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 98 G 7.40 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 0.00 0.00 0.00 99 F 8.10 6.27 0.00 3.11 3.23 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 0.00 100 L 7.86 4.72 0.00 1.82 1.63 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.57 4.51 0.00 3.99 4.04 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 0.00 0.00 0.00 102 L 6.73 4.24 0.00 1.69 2.12 0.95 1.01 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 0.00 103 M 7.88 4.99 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 104 N 8.29 5.66 0.00 2.86 3.05 0.00 0.00 6.78 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 0.00 105 M 9.40 3.86 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 106 D 8.80 3.87 0.00 2.81 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 0.00 107 G 8.87 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 0.00 0.00 0.00 108 D 8.65 4.87 0.00 2.60 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 0.00 109 T 8.50 4.49 4.14 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 1.04 0.00 0.00 110 K 7.67 4.67 0.00 1.77 1.88 0.00 1.50 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.38 7.81 111 D 8.46 4.80 0.00 2.55 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.86 4.63 0.00 2.81 2.69 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 0.00 0.00 0.00 0.00 113 V 8.45 3.27 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 0.71 0.00 0.00 0.91 0.00 0.00 114 K 8.09 3.41 0.00 0.79 1.53 0.00 1.46 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.11 1.14 7.81 115 A 8.26 3.79 1.30 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 0.00 0.00 0.00 116 P 0.00 3.18 0.00 2.06 2.11 0.00 3.75 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 2.03 2.25 0.00 117 E 8.61 3.53 0.00 2.13 1.13 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 2.21 2.26 0.00 118 G 9.10 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 0.00 119 E 9.30 3.66 0.00 2.07 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 0.00 2.18 2.30 0.00 120 L 9.83 3.96 0.00 1.75 2.04 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 121 G 6.79 3.71 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 0.00 0.00 0.00 122 D 7.61 4.48 0.00 2.83 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 0.00 123 S 8.81 3.58 0.00 3.92 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 0.00 124 L 5.82 4.41 0.00 2.05 2.04 0.99 1.08 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 0.00 125 Q 7.94 4.08 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 126 T 8.57 4.18 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 1.36 0.00 0.00 127 A 9.09 3.28 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 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.40 4.34 0.00 3.28 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 0.00 129 D 8.52 4.39 0.00 3.30 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.12 4.05 0.00 2.33 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 2.36 2.35 0.00 131 G 8.03 4.31 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 0.00 132 K 7.84 4.23 0.00 1.77 1.95 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.50 7.81 133 D 8.43 4.48 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.26 4.70 0.00 1.38 1.27 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 135 M 8.26 4.73 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 136 V 9.22 5.52 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 0.76 0.00 0.00 0.98 0.00 0.00 137 T 8.60 4.56 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 1.21 0.00 0.00 138 I 8.99 5.18 1.96 0.00 0.00 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 1.57 0.97 1.00 0.00 0.00 139 I 9.25 4.94 1.59 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.59 0.80 0.00 0.00 140 S 8.57 4.83 0.00 3.88 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 0.00 141 A 8.85 4.44 1.69 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 0.00 0.00 0.00 0.00 0.00 0.00 142 M 8.09 3.11 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 143 G 7.83 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 0.00 0.00 0.00 144 E 7.90 4.09 0.00 2.03 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 2.16 2.21 0.00 145 E 8.32 5.66 0.00 2.22 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 2.19 2.33 0.00 146 A 8.02 4.52 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 0.00 147 A 8.65 4.64 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 0.00 148 I 8.56 4.65 1.87 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 1.21 0.76 0.87 0.00 0.00 149 S 8.50 4.79 0.00 3.87 3.87 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 0.00 0.00 0.00 150 F 8.65 5.39 0.00 2.98 2.74 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 0.00 151 K 9.17 4.47 0.00 1.85 1.66 0.00 1.92 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.