NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 4.5647 8.0433 122.7667 55.2805 43.7318 175.2087 13 M 4.8708 8.7550 125.9247 52.7139 35.8298 170.1650 14 V 4.5549 9.1226 122.5052 61.4010 35.0788 173.6324 15 K 4.9386 8.8479 128.4416 54.9347 34.1668 176.0491 16 V 4.7343 8.0347 123.6663 61.0619 34.4537 174.0785 17 L 4.9562 9.1221 127.7755 53.0036 45.1162 175.0181 18 D 5.0885 9.1082 122.7890 52.9456 41.9010 176.7393 19 A 4.2794 9.3112 129.1636 54.0493 18.5384 178.5524 20 V 3.8879 8.5590 114.3871 64.6682 31.9974 176.6722 21 R 4.4636 9.4045 117.0077 54.9627 31.0184 175.9614 22 G 4.0042 8.1391 105.9179 45.9823 0.0000 173.0352 23 S 4.8329 7.5893 111.8239 55.6520 67.1824 171.4324 24 P 4.7191 0.0000 0.0000 62.4331 31.9646 176.0910 25 A 4.0963 9.1506 125.3230 51.4575 18.3819 177.2463 26 I 3.9378 8.5130 115.9234 62.0954 39.1069 175.4634 27 N 4.1663 8.1333 120.4838 54.5860 37.9768 174.0773 28 V 4.1908 9.0913 116.9201 61.6857 33.6497 175.2543 29 A 4.5333 8.4969 129.4693 51.8881 19.6166 176.3108 30 V 4.9450 8.7532 120.9756 61.6458 35.1117 174.0362 31 H 4.9513 9.2319 123.9353 53.9974 33.0515 172.7457 32 V 5.1671 8.2936 118.8238 61.5503 35.6614 174.3676 33 F 5.4665 9.0030 122.6687 56.2563 43.6715 173.3121 34 R 4.7421 9.8247 124.8150 54.4624 31.7890 175.3988 35 K 3.5746 7.9555 127.6605 56.2593 32.7964 176.0017 36 A 4.6557 8.8750 129.0311 49.8887 21.5214 177.8016 37 A 3.9584 8.6304 121.1116 54.0455 18.2963 177.8488 38 D 4.6800 7.7472 114.7539 53.4261 41.4553 176.3084 39 D 4.2480 8.0738 114.5214 54.6645 39.0855 173.2362 40 T 4.4913 6.9992 109.0430 60.0145 71.8430 173.0490 41 W 5.1845 8.6087 120.5845 55.0327 31.8315 175.4838 42 E 4.9510 9.3994 122.8858 53.6762 32.3391 173.3694 43 P 4.2735 0.0000 0.0000 63.7446 31.7736 174.6322 44 F 4.7285 8.6598 122.0188 59.2999 41.2602 174.3366 45 A 4.5568 7.7174 117.1154 51.5200 23.2626 173.6719 46 S 4.7461 7.3507 112.2342 58.7730 66.6013 173.2129 47 G 3.9614 7.4945 106.5399 44.3250 0.0000 172.0850 48 K 5.1156 7.8106 118.2792 54.4286 36.9041 176.6552 49 T 4.0125 9.2268 115.3549 62.7826 69.5324 174.0527 50 S 5.0439 8.4232 127.6051 57.4020 64.5078 170.3427 51 E 4.8790 8.5569 124.6257 54.9906 32.0952 174.7947 52 S 4.3573 9.1696 118.9876 58.1850 66.4564 176.6142 53 S 3.8081 8.9694 130.7504 59.4964 60.2617 170.9780 54 D 4.6781 9.4093 119.3668 54.6775 40.4479 178.9110 55 S 4.5842 8.1025 119.8178 58.9250 61.9284 179.5569 *56 H 5.4349 8.0176 130.0101 52.7516 27.9441 170.0037 57 G 4.1042 7.5317 109.6573 47.0134 0.0000 172.4951 58 L 4.9495 8.5687 125.1347 54.1466 43.2344 172.5080 59 T 4.6357 8.6037 122.3276 59.8620 69.3251 171.8156 60 T 4.3485 8.3684 124.4848 60.8302 69.2611 172.0529 61 E 4.3829 8.7630 118.8956 57.9852 31.6590 178.4981 62 E 3.8475 8.3706 115.8239 56.9255 29.8112 180.7323 63 E 4.1995 8.9475 122.3450 56.0373 30.2129 174.3573 *64 F 4.6990 8.1838 116.6726 54.8407 38.7353 176.2772 65 V 3.8666 8.2533 119.6652 60.6578 32.2411 176.3729 66 E 4.1177 8.8273 123.2238 55.7758 30.5208 175.8915 67 G 4.0220 8.0794 114.1257 44.1392 0.0000 171.7278 68 I 4.0914 7.2501 122.1029 61.1710 38.1132 175.1967 69 Y 5.3961 8.6997 125.3502 56.2435 41.6092 175.0023 70 K 4.7564 8.9261 121.1308 55.0590 35.5263 174.8554 71 V 4.7140 8.9978 128.6811 61.4204 33.5648 174.0025 72 E 5.0275 8.9721 127.8674 54.7076 32.3140 175.1862 73 I 4.7136 8.6478 124.3685 59.0356 39.8717 175.6071 74 D 5.2188 8.7026 128.7046 54.1763 37.6526 176.3549 75 T 3.8403 7.7925 114.9326 63.9348 69.3709 176.2933 76 K 4.0182 8.1406 122.0329 59.7776 32.2362 178.6368 77 S 4.1523 8.2771 114.9244 61.6493 62.1942 176.0455 78 Y 3.8720 7.6280 121.0386 60.6430 38.4392 178.4710 79 W 4.4936 8.2669 119.7081 59.5518 29.1960 178.5894 80 K 4.1574 8.6535 119.7395 58.9774 31.3679 179.1594 81 A 4.0993 7.7919 119.1196 54.1968 17.9225 178.3055 82 L 4.6332 8.0401 117.5073 54.2515 42.6159 177.0319 83 G 4.7253 7.9788 104.9509 46.4585 0.0000 174.0116 84 I 4.4433 7.3071 118.5672 59.0430 39.9556 175.2166 85 S 4.6265 8.5346 119.8409 55.9804 61.5444 171.8840 86 P 4.3749 0.0000 0.0000 62.2234 32.2144 176.7392 87 F 4.0066 8.0921 121.3281 61.0376 39.4374 176.0228 88 H 4.3979 7.7922 116.0059 55.2988 29.3060 175.5704 89 E 4.0091 8.5955 122.5640 59.3095 29.6153 175.9984 90 H 4.7674 7.2735 111.1836 55.6461 31.1647 173.1928 91 A 4.3802 8.2457 120.0602 49.8011 21.1967 175.2847 92 E 5.6409 8.6615 119.2050 53.6901 33.5765 175.8800 93 V 4.2795 8.0552 119.3226 61.8365 34.5939 173.6573 94 V 5.4597 8.8704 129.2662 60.7536 32.4184 174.6533 95 F 5.2029 8.5912 122.2382 55.3510 41.9535 173.5950 96 T 4.6179 8.6484 116.5443 63.1339 68.7282 174.7442 97 A 4.0465 8.5769 128.9314 54.0334 19.3399 179.3245 98 N 5.1435 7.8975 111.9925 52.9335 40.0705 175.5960 99 D 4.7941 8.3957 115.8214 55.6562 41.7674 176.6227 100 S 4.5456 8.1526 113.8322 57.9990 64.2506 173.9316 101 G 4.0366 8.0343 105.4483 44.1010 0.0000 170.5142 102 P 4.6023 0.0000 0.0000 62.5455 31.8903 176.6585 103 R 4.6759 8.7104 121.5341 54.3871 34.3330 174.5981 104 R 4.4306 9.1561 124.6101 55.4215 31.4714 174.4841 105 Y 5.1293 8.6965 124.1806 56.8257 41.0595 175.3448 106 T 4.6171 8.4952 118.5223 62.2373 72.7389 173.3102 107 I 4.3229 9.2970 130.0034 60.0666 38.5400 174.9161 108 A 5.1230 9.0398 130.6353 50.3004 20.8715 175.3189 109 A 5.2315 9.4362 125.2325 49.9885 22.4115 174.6442 110 L 4.9830 8.9900 124.0278 53.2338 44.6612 175.0757 111 L 5.4982 9.0182 126.1595 53.3471 45.0865 175.7882 112 S 5.0349 9.2329 117.3327 56.2400 67.3561 173.3801 113 P 3.2953 0.0000 0.0000 65.1222 31.1341 177.5429 114 Y 4.7939 7.4109 113.1546 56.7562 38.9060 175.1066 115 S 4.7538 8.0115 112.1584 58.2446 65.8790 174.8022 116 Y 5.6066 7.8431 119.0085 55.9770 40.7838 173.8797 117 S 5.0109 9.2319 115.4258 56.7632 66.6475 172.7904 118 T 5.0778 8.6685 111.6915 60.3626 71.0849 173.0531 119 T 4.7119 9.3180 122.7541 61.4628 71.9830 172.8272 120 A 4.6464 8.6344 127.8892 50.8693 20.7546 176.7522 121 V 4.1524 8.4546 122.1166 61.2321 33.6460 174.1773 122 V 4.4224 8.1699 127.7016 61.5812 33.2278 175.0263 123 T 4.5758 8.1600 122.4267 61.6390 73.3483 172.9913 124 N 4.4749 9.2489 123.5961 53.6818 38.7211 173.0775 125 P 4.3859 0.0000 0.0000 61.5781 30.9103 176.1142 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 L 8.04 4.56 0.00 1.81 1.66 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.76 4.87 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 14 V 9.12 4.55 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 0.96 0.00 0.00 0.92 0.00 0.00 15 K 8.85 4.94 0.00 1.73 1.67 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 16 V 8.03 4.73 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 0.73 0.00 0.00 0.81 0.00 0.00 17 L 9.12 4.96 0.00 1.58 1.54 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.11 5.09 0.00 2.68 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 19 A 9.31 4.28 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 20 V 8.56 3.89 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 0.93 0.00 0.00 0.91 0.00 0.00 21 R 9.40 4.46 0.00 1.98 2.02 0.00 3.42 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 22 G 8.14 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 0.00 0.00 0.00 23 S 7.59 4.83 0.00 3.88 3.97 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 24 P 0.00 4.72 0.00 2.07 2.08 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 25 A 9.15 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.51 3.94 1.91 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 1.42 0.78 0.93 0.00 0.00 27 N 8.13 4.17 0.00 2.81 2.90 0.00 0.00 7.09 8.48 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 28 V 9.09 4.19 1.91 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 0.63 0.00 0.00 0.58 0.00 0.00 29 A 8.50 4.53 1.27 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 0.00 0.00 0.00 30 V 8.75 4.94 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 1.00 0.00 0.00 0.94 0.00 0.00 31 H 9.23 4.95 0.00 3.20 3.08 0.00 5.80 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 32 V 8.29 5.17 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 1.15 0.00 0.00 1.00 0.00 0.00 33 F 9.00 5.47 0.00 2.95 3.30 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 34 R 9.82 4.74 0.00 2.07 1.90 0.00 3.04 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.34 0.00 35 K 7.96 3.57 0.00 0.79 1.10 0.00 1.11 0.00 0.00 1.29 0.00 0.00 2.66 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.89 0.34 7.81 36 A 8.87 4.66 1.17 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 37 A 8.63 3.96 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 38 D 7.75 4.68 0.00 2.61 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 39 D 8.07 4.25 0.00 2.78 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 40 T 7.00 4.49 4.26 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 1.25 0.00 0.00 41 W 8.61 5.18 0.00 3.06 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 42 E 9.40 4.95 0.00 2.07 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 2.34 0.00 43 P 0.00 4.27 0.00 1.93 1.77 0.00 3.78 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 2.09 2.19 0.00 44 F 8.66 4.73 0.00 3.11 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 45 A 7.72 4.56 1.16 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 0.00 0.00 46 S 7.35 4.75 0.00 3.68 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.49 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 48 K 7.81 5.12 0.00 1.57 1.72 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.41 7.81 49 T 9.23 4.01 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 1.17 0.00 0.00 50 S 8.42 5.04 0.00 3.40 3.66 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 51 E 8.56 4.88 0.00 1.73 1.74 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 2.14 1.85 0.00 52 S 9.17 4.36 0.00 3.61 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 53 S 8.97 3.81 0.00 3.79 3.18 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 54 D 9.41 4.68 0.00 2.68 2.57 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 55 S 8.10 4.58 0.00 3.66 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 *56 H 8.02 5.43 0.00 2.55 2.97 0.00 7.19 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 57 G 7.53 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.57 4.95 0.00 1.34 1.55 0.92 0.77 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 59 T 8.60 4.64 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 60 T 8.37 4.35 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 61 E 8.76 4.38 0.00 1.96 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 2.14 1.84 0.00 62 E 8.37 3.85 0.00 1.97 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 2.24 1.92 0.00 63 E 8.95 4.20 0.00 1.98 1.79 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 2.24 1.89 0.00 *64 F 8.18 4.70 0.00 2.25 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 0.00 0.00 0.00 65 V 8.25 3.87 2.16 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 0.94 0.00 0.00 1.12 0.00 0.00 66 E 8.83 4.12 0.00 2.04 1.84 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 2.36 2.33 0.00 67 G 8.08 4.02 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 0.00 0.00 0.00 68 I 7.25 4.09 1.55 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.94 0.97 0.00 0.00 69 Y 8.70 5.40 0.00 2.16 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 70 K 8.93 4.76 0.00 0.79 0.78 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.90 0.89 7.81 71 V 9.00 4.71 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 1.08 0.00 0.00 72 E 8.97 5.03 0.00 1.99 1.71 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 1.91 2.07 0.00 73 I 8.65 4.71 1.79 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 1.04 0.98 0.75 0.00 0.00 74 D 8.70 5.22 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.79 3.84 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 76 K 8.14 4.02 0.00 2.15 2.04 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.59 7.81 77 S 8.28 4.15 0.00 4.03 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 78 Y 7.63 3.87 0.00 2.90 2.80 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 0.00 0.00 0.00 0.00 79 W 8.27 4.49 0.00 3.48 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 80 K 8.65 4.16 0.00 2.01 1.90 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.58 7.81 81 A 7.79 4.10 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 82 L 8.04 4.63 0.00 2.00 1.76 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.98 4.73 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 0.00 0.00 0.00 84 I 7.31 4.44 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.41 0.81 0.00 0.00 85 S 8.53 4.63 0.00 3.86 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 86 P 0.00 4.37 0.00 2.32 2.18 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.31 0.00 87 F 8.09 4.01 0.00 1.57 2.57 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 88 H 7.79 4.40 0.00 3.30 3.46 0.00 5.95 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.60 4.01 0.00 1.72 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 2.15 2.12 0.00 90 H 7.27 4.77 0.00 3.15 3.21 0.00 5.09 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 91 A 8.25 4.38 0.24 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 0.00 0.00 0.00 92 E 8.66 5.64 0.00 1.79 1.74 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 2.14 2.20 0.00 93 V 8.06 4.28 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 1.07 0.00 0.00 0.95 0.00 0.00 94 V 8.87 5.46 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 1.17 0.00 0.00 0.89 0.00 0.00 95 F 8.59 5.20 0.00 3.14 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 96 T 8.65 4.62 4.32 0.00 0.00 0.00 0.00 0.00 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 97 A 8.58 4.05 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 98 N 7.90 5.14 0.00 2.88 2.83 0.00 0.00 6.68 8.08 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 99 D 8.40 4.79 0.00 2.68 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 0.00 100 S 8.15 4.55 0.00 3.91 3.78 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 0.00 101 G 8.03 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 0.00 0.00 0.00 102 P 0.00 4.60 0.00 1.98 2.04 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 103 R 8.71 4.68 0.00 1.64 1.22 0.00 3.29 0.00 0.00 3.56 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.79 0.00 104 R 9.16 4.43 0.00 1.81 1.86 0.00 3.03 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 105 Y 8.70 5.13 0.00 2.92 2.68 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 0.00 106 T 8.50 4.62 4.22 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 1.19 0.00 0.00 107 I 9.30 4.32 1.82 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 0.96 0.54 0.86 0.00 0.00 108 A 9.04 5.12 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 0.00 109 A 9.44 5.23 1.17 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 0.00 110 L 8.99 4.98 0.00 1.79 1.58 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.02 5.50 0.00 1.87 1.99 0.58 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.23 5.03 0.00 3.95 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 0.00 113 P 0.00 3.30 0.00 2.07 1.69 0.00 3.17 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.44 0.00 114 Y 7.41 4.79 0.00 2.80 2.83 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 0.00 115 S 8.01 4.75 0.00 3.94 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 0.00 116 Y 7.84 5.61 0.00 3.05 3.03 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 0.00 117 S 9.23 5.01 0.00 3.92 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 0.00 118 T 8.67 5.08 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 1.31 0.00 0.00 119 T 9.32 4.71 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 0.00 120 A 8.63 4.65 1.16 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 0.00 0.00 121 V 8.45 4.15 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 0.90 0.00 0.00 0.95 0.00 0.00 122 V 8.17 4.42 1.94 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 0.36 0.00 0.00 0.86 0.00 0.00 123 T 8.16 4.58 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 1.16 0.00 0.00 124 N 9.25 4.47 0.00 2.70 2.75 0.00 0.00 7.09 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 0.00 125 P 0.00 4.39 0.00 2.10 1.89 0.00 3.74 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 2.10 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.