NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1083 8.2644 123.5818 51.8466 19.5973 175.3539 *2 K 3.9648 8.3183 115.4728 56.1431 33.1665 175.9838 3 L 4.3672 7.8315 122.0821 54.6706 42.2360 176.5539 4 I 4.5309 8.3616 124.7177 59.2270 39.8709 174.4575 5 N 4.0749 8.9407 126.4464 53.4270 39.2455 174.4585 6 T 4.4740 8.6201 115.6269 61.4436 69.7843 175.7592 7 T 3.9736 8.4048 120.9683 66.0180 68.5936 176.3269 8 W 4.2313 8.3265 116.7148 59.1989 28.1773 176.6991 9 T 3.6190 6.8419 107.2800 62.0389 69.0654 174.1391 10 H 5.0083 7.8859 119.9434 55.0325 29.7809 175.3796 11 Q 4.0543 8.0661 120.5973 59.1354 28.9169 176.9052 12 E 3.8172 8.3818 119.3757 59.5257 29.4199 178.2069 13 L 3.8787 7.9041 119.0075 58.5388 42.1985 179.4098 14 V 3.6051 7.8183 117.5472 66.3373 31.4438 177.8147 15 N 4.5205 8.5052 116.2992 56.0499 38.1955 177.1088 16 N 4.3104 8.3713 118.2311 56.5263 38.7217 177.4737 17 Q 3.9852 8.1673 119.0611 58.9255 28.6772 178.4532 18 L 3.9801 8.0645 118.9509 58.2099 41.8193 179.2654 19 D 4.5894 8.3192 117.2507 56.0711 40.8589 176.8722 20 N 4.9665 7.7230 114.0326 52.7096 39.8180 173.3237 21 T 4.7405 7.5853 107.7743 59.3977 71.8889 173.5774 22 D 4.4526 8.5671 119.1929 54.3255 39.7279 176.6129 23 A 3.8598 7.5230 123.9982 52.8168 18.6140 177.1297 24 F 4.9170 7.4387 115.8350 56.3902 39.6531 175.2684 25 L 4.8139 7.0945 121.9853 53.4063 45.3729 175.0100 26 V 4.7909 8.4685 125.1150 61.4899 34.2336 173.9440 27 E 5.1281 9.7527 127.2783 54.7695 33.9665 174.7922 28 T 5.3500 8.5916 111.3923 60.4051 72.1937 172.5250 29 Y 5.0377 9.1668 120.3302 56.4650 42.8114 174.4385 30 S 5.2160 8.9436 116.2801 57.2325 66.1528 173.0172 31 A 4.8079 9.0144 123.4529 49.6736 19.2357 177.4120 32 G 3.7036 8.4829 114.5016 47.1135 0.0000 171.9173 33 N 4.7694 8.8312 122.8490 52.8261 37.6879 174.6150 34 T 4.6034 7.7648 116.3963 63.1241 70.3411 173.5367 35 D 5.4350 9.1214 125.5653 52.7313 44.1279 175.5693 36 V 4.8901 8.6783 120.8111 61.2379 35.1310 174.1545 37 V 4.9680 8.9194 127.6959 61.0568 34.3193 173.7790 38 F 5.5667 9.8233 130.1241 56.6902 42.0270 173.9565 39 T 4.8629 8.7347 115.4229 59.8024 72.8969 172.3367 40 Q 4.3676 8.3480 121.9559 54.1336 32.4326 173.6554 41 A 4.5147 8.1063 126.4687 48.6252 23.4304 173.4376 42 P 4.1981 0.0000 0.0000 64.6794 31.6652 177.4852 43 K 4.3339 10.7765 121.7300 57.4374 31.1298 175.4847 44 H 5.3453 7.6293 112.6434 54.9498 32.0163 173.0284 45 Y 4.8720 9.1440 119.3009 57.2557 39.8432 174.3106 46 E 5.4462 9.1482 119.7360 54.8307 34.4594 174.6429 47 L 5.1831 9.1111 122.4385 52.9441 45.3405 175.4057 48 L 5.2416 9.1249 123.2513 52.9779 45.0463 175.4448 49 I 5.0734 8.8173 124.9927 59.5029 40.3557 174.9336 50 S 5.2033 9.0800 120.3600 57.2194 67.0979 172.4604 51 N 5.1789 8.3595 118.1536 52.1269 41.0007 174.5411 52 K 4.1076 9.0970 125.6778 59.0397 32.4742 177.5066 53 H 4.7356 8.3751 114.1677 56.0605 30.0385 174.1275 54 R 4.5478 7.6907 113.2416 54.3332 32.0567 174.0089 55 A 4.1426 8.3018 120.1476 52.0109 18.9725 177.5191 56 V 3.8113 8.0773 122.2704 62.6392 32.2167 176.1859 57 K 4.2747 8.7165 127.6963 56.1100 33.1174 177.9216 58 D 4.3888 8.9679 123.4728 57.6975 40.7635 179.0441 59 N 4.4192 8.0422 116.8871 55.7631 37.7854 176.9113 60 E 3.9535 8.1217 121.1437 58.5532 29.7830 178.2690 61 L 3.9489 8.3232 121.0951 58.1965 42.1666 178.5215 62 E 3.9292 8.2405 118.3539 59.6116 29.4703 179.2722 63 V 3.6074 7.8844 117.8927 66.4539 31.4299 178.2653 64 I 3.8063 7.7420 118.9099 64.3628 37.0149 178.3675 65 R 4.0756 8.6354 119.9058 59.7279 29.9361 178.4714 66 E 4.0447 8.8066 118.7691 59.2579 29.5138 179.0874 67 F 3.9817 8.3467 120.9220 61.1714 39.2898 177.3073 68 F 3.5085 8.1935 117.1720 60.2370 38.5085 177.6210 69 L 3.7550 7.6227 117.5774 57.5631 41.4461 179.0276 70 K 4.0650 7.8348 118.3261 57.8293 32.3815 177.3988 71 R 4.3286 7.2568 114.4805 55.2982 32.1767 176.3993 72 K 4.3429 7.5538 113.7823 55.9280 34.7856 176.2276 73 I 3.7898 7.4123 119.0721 59.0797 38.8913 175.1149 74 D 4.5908 8.4877 124.9876 53.0170 40.4489 177.0141 75 K 4.1327 8.4548 127.4808 59.0456 32.4616 179.4850 76 D 4.4343 8.1200 118.3897 56.7147 40.9643 177.2560 77 I 4.2567 7.8912 110.8856 60.6879 38.4637 175.4029 78 V 4.7147 7.3340 121.6542 60.4858 32.6570 176.2638 79 L 4.1472 8.7517 124.5851 54.7868 42.0606 177.5359 *81 D 4.5474 8.3806 118.9490 53.0232 40.8376 175.9387 82 K 4.5312 8.2629 118.2495 56.2026 32.5750 176.1214 83 L 4.2317 7.8157 119.2448 55.0224 42.4185 176.4516 84 R 4.5329 8.5108 122.6808 54.7656 33.0449 174.0283 85 T 4.9382 8.5567 122.5194 61.7901 71.3219 173.4365 86 V 4.2252 8.9776 127.8527 61.5020 33.3994 173.7065 87 H 5.2403 8.8771 128.5668 54.5608 31.5641 173.4181 88 T 4.6211 8.5944 115.4304 59.2891 71.5748 173.7933 89 D 4.2347 8.3344 120.2825 58.5051 41.1171 178.6964 90 K 4.4065 7.8239 115.5958 57.2507 33.5740 175.8329 91 L 4.7324 7.9024 123.6263 54.0174 45.8802 173.9663 92 I 5.0049 9.0708 127.6199 59.5007 40.5100 174.2937 93 E 5.1091 9.2894 126.3107 54.5401 32.7794 174.9666 94 I 4.8514 8.5976 124.5904 59.5766 40.7706 174.4760 95 S 5.2025 8.8201 123.6017 56.2891 65.1900 173.4318 96 F 4.7164 9.4263 124.3013 54.9908 40.0986 173.0394 97 P 5.0537 0.0000 0.0000 62.6876 32.8172 175.5408 98 T 5.3722 8.9463 113.1069 60.2832 72.1891 174.6398 99 T 4.3549 8.7220 111.6505 62.4687 69.9184 175.4094 100 V 4.0330 7.5486 126.7836 61.7532 31.6552 175.1532 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 0 A 8.26 4.11 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 *2 K 8.32 3.96 0.00 1.70 1.73 0.00 1.45 0.00 0.00 1.39 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 3 L 7.83 4.37 0.00 0.56 1.17 0.83 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.36 4.53 1.91 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 1.14 0.96 0.97 0.00 0.00 5 N 8.94 4.07 0.00 2.65 2.70 0.00 0.00 6.97 7.70 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 6 T 8.62 4.47 4.08 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 1.24 0.00 0.00 7 T 8.40 3.97 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 1.28 0.00 0.00 8 W 8.33 4.23 0.00 3.56 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 9 T 6.84 3.62 3.53 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 -0.62 0.00 0.00 10 H 7.89 5.01 0.00 3.12 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.07 4.05 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.65 2.42 0.00 12 E 8.38 3.82 0.00 2.07 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 0.00 2.39 2.46 0.00 13 L 7.90 3.88 0.00 1.78 1.88 0.90 0.74 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 14 V 7.82 3.61 2.30 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 0.96 0.00 0.00 1.02 0.00 0.00 15 N 8.51 4.52 0.00 2.85 2.86 0.00 0.00 7.07 7.76 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 16 N 8.37 4.31 0.00 2.89 2.87 0.00 0.00 6.99 7.60 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 17 Q 8.17 3.99 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 18 L 8.06 3.98 0.00 1.58 1.77 0.96 1.21 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 19 D 8.32 4.59 0.00 2.65 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 20 N 7.72 4.97 0.00 2.80 2.78 0.00 0.00 6.75 7.39 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 21 T 7.59 4.74 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 1.24 0.00 0.00 22 D 8.57 4.45 0.00 2.81 2.84 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 23 A 7.52 3.86 1.09 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 0.00 0.00 24 F 7.44 4.92 0.00 3.01 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 25 L 7.09 4.81 0.00 1.88 1.35 1.15 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.47 4.79 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 0.88 0.00 0.00 0.90 0.00 0.00 27 E 9.75 5.13 0.00 2.48 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 0.00 2.37 2.43 0.00 28 T 8.59 5.35 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 1.22 0.00 0.00 29 Y 9.17 5.04 0.00 2.98 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 30 S 8.94 5.22 0.00 4.14 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 31 A 9.01 4.81 1.20 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 0.00 0.00 0.00 32 G 8.48 3.70 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 0.00 0.00 0.00 33 N 8.83 4.77 0.00 2.79 2.88 0.00 0.00 5.85 7.71 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 34 T 7.76 4.60 4.46 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 1.30 0.00 0.00 35 D 9.12 5.44 0.00 2.56 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.68 4.89 2.40 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 0.91 0.00 0.00 1.00 0.00 0.00 37 V 8.92 4.97 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 0.96 0.00 0.00 0.94 0.00 0.00 38 F 9.82 5.57 0.00 2.76 3.13 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 39 T 8.73 4.86 4.08 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 1.12 0.00 0.00 40 Q 8.35 4.37 0.00 1.70 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 41 A 8.11 4.51 0.92 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 0.00 0.00 42 P 0.00 4.20 0.00 2.11 2.10 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 43 K 10.78 4.33 0.00 2.02 2.15 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.47 7.81 44 H 7.63 5.35 0.00 3.27 3.34 0.00 5.27 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 9.14 4.87 0.00 3.06 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 46 E 9.15 5.45 0.00 1.82 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 2.23 2.43 0.00 47 L 9.11 5.18 0.00 1.73 1.53 0.88 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 48 L 9.12 5.24 0.00 1.50 1.54 0.92 0.47 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 49 I 8.82 5.07 1.88 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 1.29 0.78 0.93 0.00 0.00 50 S 9.08 5.20 0.00 3.82 3.90 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 0.00 0.00 0.00 51 N 8.36 5.18 0.00 2.71 2.89 0.00 0.00 7.03 6.68 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 52 K 9.10 4.11 0.00 1.60 1.64 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.43 7.81 53 H 8.38 4.74 0.00 3.13 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.69 4.55 0.00 1.88 1.89 0.00 3.05 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 55 A 8.30 4.14 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 56 V 8.08 3.81 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 0.79 0.00 0.00 0.94 0.00 0.00 57 K 8.72 4.27 0.00 1.89 1.71 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.43 7.81 58 D 8.97 4.39 0.00 2.69 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 59 N 8.04 4.42 0.00 3.00 3.07 0.00 0.00 5.89 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 60 E 8.12 3.95 0.00 2.06 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 2.39 2.37 0.00 61 L 8.32 3.95 0.00 1.98 1.87 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.24 3.93 0.00 2.18 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 2.56 2.49 0.00 63 V 7.88 3.61 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 1.02 0.00 0.00 0.96 0.00 0.00 64 I 7.74 3.81 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 1.43 1.30 1.08 0.00 0.00 65 R 8.64 4.08 0.00 2.00 2.02 0.00 3.20 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.93 0.00 66 E 8.81 4.04 0.00 2.09 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 2.52 2.48 0.00 67 F 8.35 3.98 0.00 3.02 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 68 F 8.19 3.51 0.00 2.94 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 69 L 7.62 3.75 0.00 1.74 1.71 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.83 4.07 0.00 1.68 1.68 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.36 7.81 71 R 7.26 4.33 0.00 0.74 1.34 0.00 2.58 0.00 0.00 2.84 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.01 0.00 72 K 7.55 4.34 0.00 1.35 1.44 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.35 0.38 7.81 73 I 7.41 3.79 1.52 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.08 0.27 0.00 0.00 74 D 8.49 4.59 0.00 2.82 2.75 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 0.00 0.00 0.00 75 K 8.45 4.13 0.00 1.85 1.86 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.51 7.81 76 D 8.12 4.43 0.00 3.02 2.77 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 77 I 7.89 4.26 1.96 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 1.63 1.04 0.98 0.00 0.00 78 V 7.33 4.71 2.31 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 0.90 0.00 0.00 1.19 0.00 0.00 79 L 8.75 4.15 0.00 1.95 1.67 0.97 0.76 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 D 8.38 4.55 0.00 2.82 2.84 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 82 K 8.26 4.53 0.00 1.81 1.83 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.53 7.81 83 L 7.82 4.23 0.00 1.44 1.38 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.51 4.53 0.00 1.82 1.66 0.00 3.00 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 85 T 8.56 4.94 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 1.20 0.00 0.00 86 V 8.98 4.23 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 1.04 0.00 0.00 0.91 0.00 0.00 87 H 8.88 5.24 0.00 3.16 3.14 0.00 5.72 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 88 T 8.59 4.62 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 1.18 0.00 0.00 89 D 8.33 4.23 0.00 2.70 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 90 K 7.82 4.41 0.00 1.69 2.00 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.42 7.81 91 L 7.90 4.73 0.00 1.73 1.43 0.97 0.90 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 92 I 9.07 5.00 1.88 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 1.24 0.63 0.98 0.00 0.00 93 E 9.29 5.11 0.00 1.83 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 0.00 2.19 2.23 0.00 94 I 8.60 4.85 1.76 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.68 0.10 0.00 0.00 95 S 8.82 5.20 0.00 3.66 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 96 F 9.43 4.72 0.00 3.14 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 97 P 0.00 5.05 0.00 2.13 2.00 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 98 T 8.95 5.37 4.40 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 1.41 0.00 0.00 99 T 8.72 4.35 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 1.29 0.00 0.00 100 V 7.55 4.03 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 0.77 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.