NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5255 8.3193 115.2990 58.1810 63.6645 173.3718 3 N 5.1336 8.4084 124.3576 47.9970 41.6384 172.9594 4 P 4.3667 0.0000 0.0000 66.1150 31.6183 180.0547 5 L 4.0624 8.0091 118.4226 57.5119 41.7847 179.3629 6 G 3.6659 8.6038 105.7861 48.0019 0.0000 175.6125 7 E 4.0867 8.3747 121.0006 59.0510 29.3929 179.4348 8 L 4.0108 8.2341 119.3306 57.5858 41.6716 179.5611 9 V 3.5942 8.0970 118.5176 66.0135 31.5077 178.2411 10 K 3.9488 7.9457 117.3657 59.5117 31.9995 179.2559 11 A 3.9972 8.1494 121.0139 55.1934 18.0700 179.7290 12 L 4.0400 8.1592 116.9700 57.4812 41.9968 179.0608 13 E 4.0752 8.2682 119.6269 59.3345 29.4277 179.0898 14 K 4.0165 7.8185 116.9859 58.7613 32.1428 178.3244 15 L 4.3819 7.3705 116.6977 53.6476 42.1461 177.0432 16 S 4.3314 7.0621 114.0854 58.0619 63.7605 173.4174 17 F 5.0095 8.3066 119.6396 55.4777 41.3441 176.0590 18 K 4.3746 8.9910 124.1949 55.5057 32.9435 176.4215 19 P 4.3256 0.0000 0.0000 66.2576 31.0881 179.2190 20 S 4.2933 8.2650 113.2413 61.5615 62.7532 176.2188 21 D 4.4107 8.2420 121.8090 57.4026 40.5981 178.9440 22 V 3.5083 7.7905 118.1417 66.1621 31.6003 178.1912 23 R 3.9948 7.9464 117.3132 59.1247 29.8608 179.1700 24 I 3.7332 8.1619 120.0850 64.4575 37.0482 177.8066 25 Y 3.9127 8.1843 120.4054 60.6420 38.5507 177.8473 26 S 4.0807 8.2994 114.0897 61.4153 62.4616 175.9269 27 L 3.9133 7.9433 122.7395 58.2571 41.7895 178.9928 28 L 4.1008 7.8261 118.9350 57.5906 41.2875 179.2680 29 L 3.7521 7.6168 119.6830 58.1122 42.0741 178.6240 30 E 4.1107 8.2864 117.8173 58.6324 29.5588 178.5074 31 R 4.5463 8.3246 114.5671 56.0469 32.1862 176.2049 32 G 3.7677 8.3820 105.1887 43.8839 0.0000 173.2446 33 G 4.1805 8.0757 107.0617 45.6848 0.0000 173.6408 *35 R 4.4385 8.0730 117.6204 55.4903 32.4876 176.9967 36 V 3.6027 8.4148 120.2829 66.4699 31.5279 178.5852 37 S 4.1368 8.1157 113.3176 61.5099 62.7910 176.2424 38 E 4.0032 8.1246 121.6815 59.1503 29.3466 179.1528 39 I 3.6856 7.7944 119.5920 64.3137 37.2286 178.2592 40 A 4.0321 8.2213 121.8155 55.1331 18.0669 179.6037 41 R 3.8396 8.0606 117.0354 59.7973 29.9982 178.6429 42 E 4.0016 8.0102 116.8753 58.9960 29.5802 178.5099 43 L 4.2976 7.9201 115.9460 53.6123 43.1660 175.7777 44 D 4.3636 7.5650 118.1862 55.6191 39.9085 172.4097 45 L 4.8887 7.8242 117.1747 52.0525 45.8693 177.8296 46 S 4.1750 8.5687 114.5178 58.7108 63.7083 175.2103 47 A 4.0217 8.6735 130.5153 55.3082 18.2136 179.9181 48 R 3.8898 8.0198 116.1348 59.3578 30.1253 178.8688 49 F 4.1485 8.1826 120.0349 61.2751 39.3897 177.2557 50 V 3.3267 8.0219 117.9300 65.8491 31.3305 177.6150 51 R 3.7114 8.2299 118.7986 59.8590 29.9800 178.2178 52 D 4.3116 8.1521 118.4548 57.3200 40.6821 179.0470 53 R 3.7720 7.8223 118.8498 59.0620 29.8976 179.0256 54 L 3.8276 8.0453 119.2454 57.6500 41.4742 179.7293 55 K 3.9538 8.0058 118.4785 59.2574 31.9431 179.6110 56 V 3.4941 7.6258 118.2307 66.1069 31.4455 178.2184 57 L 4.0733 8.1891 118.9423 57.4398 41.3672 179.3786 58 L 4.2184 8.1523 122.1243 57.6324 41.8951 178.9902 59 K 3.9242 7.7138 118.1482 59.3156 32.1838 178.3699 60 R 3.8893 7.4878 116.6234 56.4984 30.0049 177.3583 61 G 3.8887 7.5878 106.7099 45.7826 0.0000 174.1163 62 F 5.2147 8.3480 119.8650 57.8117 40.8407 176.0325 63 V 5.2323 7.9629 110.8187 59.4328 36.2610 174.3861 64 R 4.9470 9.0301 118.3234 54.5880 33.1055 174.2238 65 R 5.0643 8.2128 114.4688 54.5357 32.7208 174.0186 66 E 4.7967 8.8287 117.8699 54.4207 32.7434 174.8522 67 I 4.0194 8.5352 123.5429 60.9237 39.1595 174.9882 68 V 4.3828 8.6926 127.9861 61.2975 35.1269 173.8864 69 E 4.8830 8.8110 127.2219 54.0700 30.1536 173.8565 70 K 4.4546 8.4814 123.3966 53.4268 33.9797 177.6340 71 G 3.6545 8.3781 116.7707 45.2103 0.0000 174.6214 72 W 4.6788 8.7583 118.7052 55.7162 30.1691 176.0678 73 V 4.1054 8.4804 121.6417 62.0852 32.0950 175.1505 74 G 4.0550 8.3886 108.6658 46.3385 0.0000 171.2072 75 Y 5.2110 8.6436 117.0733 56.1383 40.6737 175.6846 76 I 4.5009 8.5971 124.0720 60.0957 39.4185 174.2658 77 Y 5.1040 8.7336 124.7053 56.8371 40.1312 174.9191 78 S 5.0773 9.0648 117.9395 56.4416 67.8837 173.1230 79 A 4.4185 8.4073 123.7324 51.7886 18.7259 177.6000 80 E 4.4153 8.9719 122.2721 55.6628 30.6709 177.4254 81 K 4.2513 8.6599 121.1934 56.1354 33.7313 176.0517 82 P 4.2442 0.0000 0.0000 66.3294 31.2025 178.8431 83 E 3.9902 8.1587 116.5705 59.0198 29.3162 179.1635 84 K 4.0227 8.0470 119.5411 59.2804 32.3284 178.7081 85 V 3.7362 7.8677 118.6071 66.2837 31.3482 178.0862 86 L 3.9960 8.0662 118.6231 57.5183 41.4391 179.4145 87 K 3.9917 8.2070 119.6498 59.6108 32.1294 178.8046 88 E 4.0632 8.6741 119.1217 59.3713 29.3607 179.0153 89 F 4.2279 8.7852 120.9004 61.1728 39.4391 176.9760 90 K 3.9271 8.4699 119.2795 59.6502 31.9979 178.5070 91 S 4.0687 8.1140 113.2729 61.5679 62.2640 176.4168 92 S 3.9915 8.1336 117.7171 61.6589 62.5585 176.5812 93 I 3.5205 7.5627 121.5617 63.8030 37.5356 177.8898 94 L 4.0424 8.1097 120.2327 57.6737 41.4545 179.5704 95 G 3.6316 8.1930 105.7291 47.9371 0.0000 175.6086 96 E 3.9682 8.0688 120.9286 59.1490 29.4523 179.4670 97 I 3.7298 7.9149 119.9642 64.4568 37.1518 178.3320 98 E 4.3102 8.4356 121.0571 58.8328 29.0367 179.3699 99 R 3.8756 7.8946 117.8015 59.5919 30.2279 178.3979 100 I 3.9283 7.6414 118.5018 64.2984 37.2071 177.7769 101 E 4.2602 8.6795 120.0320 59.0809 29.6178 179.1000 102 K 4.6306 7.6243 121.1547 55.8872 31.4673 177.4979 *104 F 4.6845 7.9618 118.2748 57.4413 41.5207 175.7630 105 T 4.1601 7.9743 115.1487 61.8329 68.7405 174.2258 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 S 8.32 4.53 0.00 3.83 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 3 N 8.41 5.13 0.00 3.06 2.89 0.00 0.00 6.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.37 0.00 2.12 1.84 0.00 3.53 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.64 0.00 5 L 8.01 4.06 0.00 1.88 1.75 0.91 0.89 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 6 G 8.60 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 7 E 8.37 4.09 0.00 2.28 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 0.00 2.66 2.61 0.00 8 L 8.23 4.01 0.00 1.86 1.73 0.92 0.70 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 9 V 8.10 3.59 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 1.04 0.00 0.00 0.95 0.00 0.00 10 K 7.95 3.95 0.00 2.05 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.64 7.81 11 A 8.15 4.00 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 12 L 8.16 4.04 0.00 1.81 1.78 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.27 4.08 0.00 2.10 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 0.00 2.31 2.39 0.00 14 K 7.82 4.02 0.00 1.93 1.81 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.58 7.81 15 L 7.37 4.38 0.00 1.66 1.74 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.06 4.33 0.00 4.03 4.03 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 0.00 0.00 0.00 0.00 17 F 8.31 5.01 0.00 3.08 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 18 K 8.99 4.37 0.00 1.98 1.90 0.00 1.87 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.50 7.81 19 P 0.00 4.33 0.00 2.20 2.15 0.00 3.69 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 2.16 2.24 0.00 20 S 8.26 4.29 0.00 4.18 4.16 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 21 D 8.24 4.41 0.00 3.04 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 22 V 7.79 3.51 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 1.00 0.00 0.00 0.79 0.00 0.00 23 R 7.95 3.99 0.00 2.10 1.99 0.00 3.21 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 24 I 8.16 3.73 2.04 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 1.40 0.70 0.89 0.00 0.00 25 Y 8.18 3.91 0.00 3.16 3.04 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 26 S 8.30 4.08 0.00 4.04 4.03 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 0.00 0.00 0.00 0.00 27 L 7.94 3.91 0.00 1.93 1.78 0.92 0.46 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 28 L 7.83 4.10 0.00 1.56 1.61 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.62 3.75 0.00 1.20 1.53 0.79 1.34 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 30 E 8.29 4.11 0.00 1.94 1.98 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 2.42 2.50 0.00 31 R 8.32 4.55 0.00 1.87 1.92 0.00 3.14 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 32 G 8.38 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.08 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 *35 R 8.07 4.44 0.00 2.07 1.98 0.00 3.19 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 36 V 8.41 3.60 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 1.19 0.00 0.00 0.99 0.00 0.00 37 S 8.12 4.14 0.00 4.11 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 0.00 38 E 8.12 4.00 0.00 2.23 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 39 I 7.79 3.69 1.99 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 1.47 1.08 0.90 0.00 0.00 40 A 8.22 4.03 1.44 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 0.00 0.00 41 R 8.06 3.84 0.00 2.00 2.12 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 42 E 8.01 4.00 0.00 2.01 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 2.58 2.51 0.00 43 L 7.92 4.30 0.00 1.73 1.74 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.56 4.36 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 45 L 7.82 4.89 0.00 1.74 1.70 1.10 0.65 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 46 S 8.57 4.18 0.00 3.90 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 47 A 8.67 4.02 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 48 R 8.02 3.89 0.00 1.93 2.05 0.00 3.16 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 1.74 1.71 0.00 49 F 8.18 4.15 0.00 3.15 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 50 V 8.02 3.33 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 0.89 0.00 0.00 1.04 0.00 0.00 51 R 8.23 3.71 0.00 1.93 2.16 0.00 3.18 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 52 D 8.15 4.31 0.00 2.72 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 53 R 7.82 3.77 0.00 1.59 1.92 0.00 2.94 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.09 0.00 54 L 8.05 3.83 0.00 1.35 0.90 0.18 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.01 3.95 0.00 1.94 1.83 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.59 7.81 56 V 7.63 3.49 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 0.98 0.00 0.00 0.92 0.00 0.00 57 L 8.19 4.07 0.00 1.91 1.91 1.04 1.19 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 58 L 8.15 4.22 0.00 1.96 1.89 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.71 3.92 0.00 1.74 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.44 7.81 60 R 7.49 3.89 0.00 1.17 0.72 0.00 3.12 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 61 G 7.59 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 62 F 8.35 5.21 0.00 3.06 3.05 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 63 V 7.96 5.23 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 1.17 0.00 0.00 1.09 0.00 0.00 64 R 9.03 4.95 0.00 1.82 2.21 0.00 2.75 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 65 R 8.21 5.06 0.00 1.02 0.83 0.00 2.21 0.00 0.00 2.72 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.17 0.00 66 E 8.83 4.80 0.00 2.03 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 2.32 2.22 0.00 67 I 8.54 4.02 1.79 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.36 0.88 0.00 0.00 68 V 8.69 4.38 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 0.87 0.00 0.00 0.92 0.00 0.00 69 E 8.81 4.88 0.00 1.91 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 2.12 2.28 0.00 70 K 8.48 4.45 0.00 1.73 1.68 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.32 7.81 71 G 8.38 3.65 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 0.00 0.00 0.00 72 W 8.76 4.68 0.00 3.30 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 73 V 8.48 4.11 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 0.71 0.00 0.00 0.85 0.00 0.00 74 G 8.39 4.06 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 0.00 75 Y 8.64 5.21 0.00 2.87 2.35 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 76 I 8.60 4.50 1.89 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 1.28 0.97 0.95 0.00 0.00 77 Y 8.73 5.10 0.00 2.92 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 78 S 9.06 5.08 0.00 3.73 3.69 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 79 A 8.41 4.42 0.66 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 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.97 4.42 0.00 2.23 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 2.40 2.76 0.00 81 K 8.66 4.25 0.00 1.98 1.98 0.00 1.56 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.51 7.81 82 P 0.00 4.24 0.00 2.19 2.16 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 83 E 8.16 3.99 0.00 2.03 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 2.41 2.37 0.00 84 K 8.05 4.02 0.00 1.89 2.05 0.00 1.80 0.00 0.00 1.98 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.58 7.81 85 V 7.87 3.74 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 0.13 0.00 0.00 0.87 0.00 0.00 86 L 8.07 4.00 0.00 1.73 1.71 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.21 3.99 0.00 2.01 2.03 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.52 7.81 88 E 8.67 4.06 0.00 2.42 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 0.00 2.61 2.62 0.00 89 F 8.79 4.23 0.00 3.42 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 90 K 8.47 3.93 0.00 2.10 2.01 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 91 S 8.11 4.07 0.00 4.04 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 92 S 8.13 3.99 0.00 3.82 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 93 I 7.56 3.52 1.20 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 1.46 1.46 0.85 0.00 0.00 94 L 8.11 4.04 0.00 1.90 1.68 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.19 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 96 E 8.07 3.97 0.00 2.08 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 0.00 2.37 2.42 0.00 97 I 7.91 3.73 1.86 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 1.52 0.77 0.92 0.00 0.00 98 E 8.44 4.31 0.00 2.19 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 2.33 2.26 0.00 99 R 7.89 3.88 0.00 1.88 2.13 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 100 I 7.64 3.93 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.78 1.15 0.00 0.00 101 E 8.68 4.26 0.00 2.20 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 2.37 2.52 0.00 102 K 7.62 4.63 0.00 1.90 1.90 0.00 1.66 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.33 7.81 *104 F 7.96 4.68 0.00 3.15 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 0.00 105 T 7.97 4.16 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 1.32 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.