NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 4.7724 8.1827 115.7558 56.3308 39.8161 176.8965 13 V 3.4269 7.9717 122.6352 66.8260 31.3148 174.9488 14 A 3.9872 8.7571 121.3113 55.2719 18.5488 178.7296 15 E 3.9573 8.2150 115.3179 59.7731 29.8271 179.2620 16 L 4.1916 8.2387 118.8811 57.5954 41.2210 178.9631 17 N 4.3322 8.5007 117.2155 56.4649 38.6524 176.0041 18 N 4.6500 7.8999 115.7076 54.3307 38.9564 175.4129 19 L 4.6272 7.7052 120.4178 54.0743 42.2370 176.1467 20 L 4.3176 7.2834 119.2949 56.4217 41.8171 177.9100 21 G 3.9947 9.1179 111.9757 45.2104 0.0000 173.5070 22 R 4.6332 7.7301 118.6503 54.5257 32.4874 175.3306 23 E 4.8184 8.4561 121.7925 56.3035 31.0969 175.8910 24 V 5.0503 9.0014 125.2277 60.4077 35.9749 173.3375 25 Q 5.0878 9.1252 118.4448 54.3463 32.0393 174.3750 26 V 4.7316 8.9639 122.1549 61.2232 34.3607 174.0907 27 V 4.5575 8.5303 128.5116 61.6245 33.0685 174.6001 28 L 5.4221 8.7916 128.0974 52.9235 44.1031 177.8380 29 S 4.3001 9.1298 116.6157 60.2434 63.1539 174.6394 30 N 4.6218 8.2086 117.8338 53.0281 37.3365 175.9387 31 G 3.9813 8.3505 108.5596 45.3766 0.0000 173.9656 32 E 4.3274 8.3339 119.3753 56.1676 31.4184 176.1121 33 V 4.7929 7.8786 120.3867 61.7227 34.9757 173.3331 34 Y 5.0193 8.9882 125.4610 55.9907 41.1613 174.6316 35 K 4.9689 8.6478 124.1560 55.0379 35.6013 175.4952 36 G 4.2813 8.4038 112.6403 46.1647 0.0000 171.8442 37 V 4.5165 7.9724 113.6324 60.3189 33.1131 175.8848 38 L 4.1590 8.9785 128.2927 56.1568 42.2300 176.4524 39 H 4.5701 9.1257 127.2331 57.9485 31.2682 174.8880 40 A 4.6315 7.4934 116.4294 51.0314 22.4290 175.4875 41 V 4.9443 8.3282 119.5131 61.4229 34.9326 174.4988 42 D 5.0062 8.5087 126.9646 51.3320 41.8592 176.6739 43 N 4.2990 8.5511 115.3944 56.3809 38.4638 176.3187 44 Q 3.8360 7.9714 114.3996 55.7712 29.0589 175.9756 45 L 3.7924 7.8896 117.0117 55.4408 39.7534 174.2855 46 N 4.8635 8.9323 116.6232 53.5049 39.9006 174.3150 47 I 5.0873 8.6829 122.1292 59.5614 41.5665 174.3942 48 V 4.6079 9.0373 126.3203 61.1151 33.7444 174.1288 49 L 5.1565 8.7572 127.9514 53.0308 44.3446 175.3273 50 A 4.7679 9.2280 124.7857 50.7210 21.4671 176.2769 51 N 4.2849 8.5189 116.4110 54.3657 36.6451 173.3109 52 A 5.2740 8.1430 121.1652 50.4823 23.0880 177.1881 53 S 5.8430 9.2188 112.6453 56.5750 67.2218 173.7694 54 N 5.3611 8.3264 118.8758 50.6487 39.9238 175.2380 55 K 4.0421 8.4906 116.4451 58.4436 32.2109 177.6080 56 A 4.3075 7.9302 120.6645 51.7597 18.8949 178.2443 57 G 3.9572 8.0269 104.9896 45.1740 0.0000 174.2102 58 E 4.1332 8.0151 119.5099 56.2496 30.6937 175.9797 59 K 5.1891 7.9805 121.2491 54.7740 35.9256 175.5801 60 F 4.7218 9.1591 120.7070 55.8401 43.1677 175.2345 61 N 4.5751 9.1953 121.7954 56.4966 39.9711 174.7879 62 R 4.9305 7.8668 115.2332 54.3081 34.4688 174.9309 63 V 4.0568 8.4349 122.8990 61.0214 34.4225 174.1053 64 F 4.8821 8.8253 127.0783 56.5675 39.8600 174.9584 65 I 4.4822 8.4804 130.2585 60.3671 39.9225 176.1635 *67 Y 4.7238 8.4776 119.0455 58.0299 39.7151 177.2561 68 R 3.6149 7.1326 119.0227 58.4195 30.2272 176.1888 69 Y 4.3506 7.8316 113.1830 57.5491 38.6049 174.3942 70 I 4.3935 7.5547 122.4848 60.7900 37.3495 176.0638 71 V 4.0215 8.9397 128.8580 65.6720 31.9472 175.5289 72 H 4.9636 7.7845 113.3292 54.7744 31.7370 171.8627 73 I 5.0453 8.2882 119.4317 59.6509 39.9044 174.8331 74 D 5.1295 9.3401 126.1517 52.1141 44.4109 175.6062 75 S 4.6394 8.7598 117.5174 58.8166 63.5527 173.9469 76 T 4.5243 8.1126 111.2646 61.6812 69.9910 174.2726 77 E 4.4532 8.0736 121.8898 55.3564 30.8482 176.1106 78 R 4.2731 8.2319 121.2224 55.4484 31.1337 176.9568 79 R 4.1598 8.2379 119.8596 55.8559 30.8070 176.7997 80 I 3.7315 7.8303 120.7325 61.4017 37.7423 176.2380 81 D 4.5217 8.3167 123.4962 53.7676 42.9470 176.5435 *83 R 3.6459 8.4396 116.9818 56.0783 31.9240 177.9209 84 E 4.0251 8.1267 117.4307 59.0478 29.4975 178.6668 85 F 3.7888 8.2119 120.7698 61.0130 39.3817 176.9820 86 A 4.0308 8.0871 119.9901 55.4969 18.1998 178.5267 87 K 3.7352 8.1847 117.6865 60.3176 30.8660 178.6142 88 Q 3.9599 8.6607 118.0057 58.9937 28.8372 179.2279 89 A 4.3332 7.8984 121.8846 54.8073 18.5368 179.1350 90 E 4.0725 8.4277 118.0961 59.5125 29.4307 179.2563 91 K 4.0637 7.5208 117.1362 59.0048 32.0975 178.5629 92 I 3.9139 6.8281 118.8711 61.4169 38.8889 176.1258 93 F 4.9091 7.9589 117.2252 54.1814 38.8652 172.6796 94 P 4.3893 0.0000 0.0000 63.3728 32.5037 177.1007 95 G 3.6785 10.2598 113.0300 46.3717 0.0000 173.8723 *97 V 4.1463 7.3225 115.5278 62.7278 33.3082 175.4812 98 K 4.6877 9.4018 126.8648 54.7754 35.3401 174.3511 99 Y 4.9634 8.7252 126.1702 56.4226 40.8739 173.9430 100 I 4.1287 8.2465 128.5272 59.4358 38.2943 176.1376 101 E 3.6239 8.6248 128.8890 59.1215 29.8504 177.4068 102 E 4.0212 8.1761 118.1710 59.0638 29.3808 177.4975 103 T 4.3768 7.3872 103.3017 60.2758 69.9702 172.6070 104 N 4.2223 7.7727 118.3860 54.7811 37.6265 173.3313 105 V 4.6999 7.0789 116.0571 60.9783 36.1399 174.3909 106 V 4.8841 8.8512 124.8968 61.2032 34.2440 174.1558 107 L 4.9175 9.2147 128.4612 53.6203 43.5476 175.9677 108 I 4.4089 8.6106 123.7482 60.2899 39.3749 175.4646 109 G 4.0684 8.8836 118.7584 45.8307 0.0000 172.2666 110 D 4.8388 8.6301 118.9124 53.2357 41.0745 177.2348 111 K 4.5752 7.9924 117.0117 55.5656 33.7124 175.2348 112 V 4.6088 7.4931 119.5655 61.0372 34.0062 174.3628 113 R 4.9939 9.1240 127.7679 54.5091 33.6852 173.8938 114 V 4.7861 8.9311 125.5953 61.1936 34.7919 174.5079 115 S 5.1239 8.5946 122.0487 55.9907 66.3088 174.4345 116 E 4.2575 8.9691 116.3639 57.7412 29.3328 177.1502 117 I 4.4006 8.5602 111.7674 59.6779 38.4242 175.3093 118 G 3.4141 6.4507 111.1587 45.4670 0.0000 171.2023 119 V 4.6067 7.3686 118.9713 60.8944 33.0517 174.4652 120 E 4.4525 10.5805 127.5414 54.9893 31.0769 175.0527 121 G 4.3921 7.7240 107.6578 43.5295 0.0000 172.5480 122 V 4.3082 7.8073 118.3653 61.7243 34.6839 174.1169 123 G 3.9482 8.9443 109.0445 43.9691 0.0000 172.5676 124 P 4.2443 0.0000 0.0000 65.9066 31.0190 179.1245 125 V 3.8015 7.8468 115.8856 65.9103 31.5611 177.6837 126 A 3.9711 7.9605 120.0172 55.2178 18.4323 179.2023 127 E 3.9192 8.4390 117.2555 59.7755 29.4775 179.7335 128 R 4.0393 8.4169 118.4537 59.2509 30.0938 178.0839 129 A 4.5187 8.5077 120.3224 54.2921 18.5849 179.6680 130 K 4.0724 8.1036 117.7085 59.6146 32.2731 179.6773 131 R 4.4612 8.1427 117.9718 58.8212 30.0466 178.8527 132 L 4.1875 7.9722 120.5620 57.8885 42.2725 178.4670 133 F 4.1816 8.8556 120.8488 61.6456 39.2925 176.8200 134 E 4.2045 9.0886 118.4903 59.7268 29.2218 179.1326 135 E 4.0031 8.3540 118.7578 59.1078 29.4130 178.9359 136 F 3.9178 8.1831 117.0361 60.4860 39.0604 177.3822 137 L 4.2151 7.8078 117.2572 57.2998 41.4207 179.5445 138 K 4.1623 8.0026 118.2447 59.5087 32.1869 177.7552 139 R 4.2154 7.5714 120.8191 56.4688 30.1339 176.4216 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 12 F 8.18 4.77 0.00 3.21 3.40 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 13 V 7.97 3.43 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 1.08 0.00 0.00 0.89 0.00 0.00 14 A 8.76 3.99 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 15 E 8.22 3.96 0.00 2.19 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 0.00 2.35 2.48 0.00 16 L 8.24 4.19 0.00 1.81 1.78 1.13 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.50 4.33 0.00 3.03 2.83 0.00 0.00 7.15 6.35 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 18 N 7.90 4.65 0.00 2.90 2.86 0.00 0.00 6.90 8.96 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 19 L 7.71 4.63 0.00 1.88 1.66 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.28 4.32 0.00 1.66 1.61 0.91 0.93 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 21 G 9.12 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 22 R 7.73 4.63 0.00 1.88 1.87 0.00 3.32 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 23 E 8.46 4.82 0.00 2.18 1.82 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 2.32 2.42 0.00 24 V 9.00 5.05 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 0.70 0.00 0.00 0.98 0.00 0.00 25 Q 9.13 5.09 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 26 V 8.96 4.73 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 1.00 0.00 0.00 0.98 0.00 0.00 27 V 8.53 4.56 1.72 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 0.98 0.00 0.00 0.83 0.00 0.00 28 L 8.79 5.42 0.00 1.91 1.64 1.07 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.13 4.30 0.00 4.04 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 30 N 8.21 4.62 0.00 2.86 2.96 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.35 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 32 E 8.33 4.33 0.00 2.21 1.90 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 2.32 2.30 0.00 33 V 7.88 4.79 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 1.00 0.00 0.00 0.91 0.00 0.00 34 Y 8.99 5.02 0.00 2.98 2.89 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 35 K 8.65 4.97 0.00 1.81 1.63 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.56 7.81 36 G 8.40 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 0.00 0.00 0.00 0.00 37 V 7.97 4.52 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 0.71 0.00 0.00 1.04 0.00 0.00 38 L 8.98 4.16 0.00 1.78 1.75 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.13 4.57 0.00 3.18 3.33 0.00 6.04 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 40 A 7.49 4.63 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 41 V 8.33 4.94 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 0.92 0.00 0.00 0.98 0.00 0.00 42 D 8.51 5.01 0.00 2.97 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 43 N 8.55 4.30 0.00 2.68 2.85 0.00 0.00 6.85 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 44 Q 7.97 3.84 0.00 2.06 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.51 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 45 L 7.89 3.79 0.00 1.66 1.85 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.93 4.86 0.00 3.02 2.85 0.00 0.00 6.80 7.21 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 47 I 8.68 5.09 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.05 0.93 0.00 0.00 48 V 9.04 4.61 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 0.66 0.00 0.00 1.06 0.00 0.00 49 L 8.76 5.16 0.00 1.52 1.53 1.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 A 9.23 4.77 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 51 N 8.52 4.28 0.00 2.77 2.82 0.00 0.00 6.79 7.86 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 52 A 8.14 5.27 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 53 S 9.22 5.84 0.00 3.95 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 54 N 8.33 5.36 0.00 2.34 1.53 0.00 0.00 6.76 6.49 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 55 K 8.49 4.04 0.00 1.69 1.86 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.32 7.81 56 A 7.93 4.31 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 57 G 8.03 3.96 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 0.00 0.00 0.00 58 E 8.02 4.13 0.00 2.27 1.75 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 2.41 2.39 0.00 59 K 7.98 5.19 0.00 1.40 1.59 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.48 7.81 60 F 9.16 4.72 0.00 2.97 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 61 N 9.20 4.58 0.00 2.79 2.85 0.00 0.00 6.94 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 62 R 7.87 4.93 0.00 1.61 1.09 0.00 3.10 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.50 0.00 63 V 8.43 4.06 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 0.40 0.00 0.00 0.65 0.00 0.00 64 F 8.83 4.88 0.00 2.88 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 65 I 8.48 4.48 1.98 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 1.10 0.54 0.95 0.00 0.00 *67 Y 8.48 4.72 0.00 3.26 3.36 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 68 R 7.13 3.61 0.00 0.99 1.62 0.00 3.01 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.28 0.00 69 Y 7.83 4.35 0.00 3.12 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 70 I 7.55 4.39 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 1.01 0.00 0.00 71 V 8.94 4.02 2.19 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 0.86 0.00 0.00 0.98 0.00 0.00 72 H 7.78 4.96 0.00 3.18 3.35 0.00 5.45 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.29 5.05 1.80 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.03 0.99 0.00 0.00 74 D 9.34 5.13 0.00 2.52 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 75 S 8.76 4.64 0.00 3.87 3.85 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 76 T 8.11 4.52 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 1.21 0.00 0.00 77 E 8.07 4.45 0.00 2.00 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 2.29 2.34 0.00 78 R 8.23 4.27 0.00 1.81 1.86 0.00 3.22 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 79 R 8.24 4.16 0.00 1.79 1.85 0.00 3.59 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 80 I 7.83 3.73 1.36 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.23 0.29 0.00 0.00 81 D 8.32 4.52 0.00 2.74 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 *83 R 8.44 3.65 0.00 1.92 1.78 0.00 3.07 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.06 0.00 84 E 8.13 4.03 0.00 2.17 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 0.00 2.45 2.72 0.00 85 F 8.21 3.79 0.00 2.46 2.78 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 0.00 0.00 0.00 0.00 86 A 8.09 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 3.74 0.00 2.05 1.90 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.50 7.81 88 Q 8.66 3.96 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 89 A 7.90 4.33 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 90 E 8.43 4.07 0.00 2.13 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 2.33 2.42 0.00 91 K 7.52 4.06 0.00 2.03 1.81 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.66 7.81 92 I 6.83 3.91 1.22 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.33 -0.09 0.00 0.00 93 F 7.96 4.91 0.00 2.92 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 94 P 0.00 4.39 0.00 2.05 2.05 0.00 3.87 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 95 G 10.26 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 *97 V 7.32 4.15 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 0.95 0.00 0.00 1.11 0.00 0.00 98 K 9.40 4.69 0.00 1.63 1.66 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.50 7.81 99 Y 8.73 4.96 0.00 3.13 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 0.00 100 I 8.25 4.13 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.58 0.80 0.00 0.00 101 E 8.62 3.62 0.00 1.95 1.92 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 2.31 2.35 0.00 102 E 8.18 4.02 0.00 1.89 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 2.27 2.31 0.00 103 T 7.39 4.38 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 1.17 0.00 0.00 104 N 7.77 4.22 0.00 2.94 2.93 0.00 0.00 6.85 7.73 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 0.00 105 V 7.08 4.70 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 0.94 0.00 0.00 0.92 0.00 0.00 106 V 8.85 4.88 2.26 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 1.29 0.00 0.00 1.28 0.00 0.00 107 L 9.21 4.92 0.00 1.58 1.54 0.89 0.52 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 0.00 108 I 8.61 4.41 1.63 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 1.08 0.96 0.21 0.00 0.00 109 G 8.88 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 0.00 110 D 8.63 4.84 0.00 2.76 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 0.00 111 K 7.99 4.58 0.00 1.69 1.77 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.37 7.81 112 V 7.49 4.61 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 0.94 0.00 0.00 0.90 0.00 0.00 113 R 9.12 4.99 0.00 1.83 1.66 0.00 3.05 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 114 V 8.93 4.79 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 1.00 0.00 0.00 115 S 8.59 5.12 0.00 3.89 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 0.00 116 E 8.97 4.26 0.00 2.11 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 0.00 2.28 2.31 0.00 117 I 8.56 4.40 1.86 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 1.20 0.66 0.93 0.00 0.00 118 G 6.45 3.41 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 0.00 119 V 7.37 4.61 1.97 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 0.89 0.00 0.00 0.87 0.00 0.00 120 E 10.58 4.45 0.00 2.02 1.78 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 0.00 2.19 2.17 0.00 121 G 7.72 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 0.00 0.00 0.00 0.00 122 V 7.81 4.31 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 0.82 0.00 0.00 0.92 0.00 0.00 123 G 8.94 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 0.00 0.00 0.00 124 P 0.00 4.24 0.00 2.21 2.19 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 125 V 7.85 3.80 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 1.08 0.00 0.00 126 A 7.96 3.97 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 0.00 127 E 8.44 3.92 0.00 2.36 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 0.00 2.36 2.40 0.00 128 R 8.42 4.04 0.00 2.25 2.40 0.00 3.24 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 129 A 8.51 4.52 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 0.00 130 K 8.10 4.07 0.00 2.07 2.07 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.68 7.81 131 R 8.14 4.46 0.00 2.14 2.06 0.00 3.40 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 132 L 7.97 4.19 0.00 2.02 2.12 0.59 1.39 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 0.00 133 F 8.86 4.18 0.00 3.47 3.25 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 0.00 134 E 9.09 4.20 0.00 2.36 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 0.00 2.44 2.50 0.00 135 E 8.35 4.00 0.00 2.37 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 2.29 2.37 0.00 136 F 8.18 3.92 0.00 3.12 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 0.00 137 L 7.81 4.22 0.00 1.95 1.82 1.27 0.90 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 0.00 138 K 8.00 4.16 0.00 1.88 1.89 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.23 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.74 7.81 139 R 7.57 4.22 0.00 1.66 1.79 0.00 3.25 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.