NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9918 8.2516 120.4242 55.5382 33.0564 174.5485 2 V 3.8996 8.3833 126.4681 61.9275 33.1851 172.7745 3 Q 4.9391 8.2508 124.5708 55.5115 33.2331 171.8286 4 Q 4.5360 8.0236 121.0987 55.4895 33.5834 172.3491 5 K 4.7445 8.6719 122.0464 54.8036 34.3938 175.0983 6 V 4.4481 8.8144 127.7284 61.2358 34.8879 175.3833 7 E 4.5807 7.8752 124.1885 55.9943 31.9324 175.8915 8 V 4.9172 7.7950 109.9774 60.9446 32.0062 174.6655 9 R 4.0363 8.0727 119.5498 58.0678 30.0988 177.2615 10 L 4.1525 8.0495 119.9004 54.6311 42.2329 178.5677 11 K 4.2210 8.6174 121.8799 59.4912 32.2527 178.4655 12 T 4.2398 7.8931 113.0487 63.3296 69.9865 176.6586 13 G 3.8940 7.3084 108.8597 45.7686 0.0000 175.6540 14 L 4.6358 8.4100 117.0394 53.4746 40.9303 174.7090 15 Q 4.2629 7.2443 117.9326 56.7441 33.2965 174.5375 16 A 3.5963 8.5078 119.7273 53.4165 19.2383 177.9168 17 R 3.8414 8.6439 112.7333 59.8974 29.8181 177.4453 18 P 4.3802 0.0000 0.0000 66.0841 31.5201 177.7348 19 A 4.1080 9.2312 120.2745 55.1348 18.3333 179.2639 20 A 3.9510 7.9630 118.0391 55.1745 18.4860 179.6091 21 L 4.1589 8.0193 116.5300 56.9544 41.7441 179.2332 22 F 3.3003 8.3288 121.3682 61.0905 39.3378 177.3169 23 V 3.2719 7.7525 117.3512 66.0355 31.1782 177.8122 24 Q 3.9234 7.8899 116.6283 58.3741 28.3778 177.7040 25 E 3.9105 7.8583 120.3765 58.3578 29.6149 178.4532 26 A 3.7149 7.5656 121.1151 55.2302 18.3270 179.2047 27 N 4.1574 7.7832 113.6084 56.2923 38.6327 176.6061 28 R 3.9486 6.7963 115.3713 56.6465 29.6758 175.8884 29 F 5.2515 7.5538 116.8609 55.9972 41.9892 175.1499 30 T 4.3688 8.5685 111.0056 62.9778 69.8903 175.7177 31 S 4.3804 7.6417 117.1959 58.4776 63.6536 174.2359 32 D 4.4435 9.3075 125.3499 54.4585 41.8710 175.5571 33 I 4.9205 7.9004 123.0217 59.8189 41.1936 174.7892 34 F 5.2557 9.0254 121.8635 57.7022 44.0060 172.7175 35 L 4.8330 8.1862 116.2278 55.1147 46.1977 173.8861 36 E 5.2786 9.3409 125.0489 54.4174 33.0809 175.0196 37 K 4.4822 8.6536 121.9740 55.0844 34.6049 176.4105 38 D 4.2457 9.6222 129.4272 54.7911 38.7215 172.5536 39 G 4.1186 8.3820 110.0528 44.2784 0.0000 173.6455 40 K 3.7255 8.8637 115.0880 56.6951 33.3291 176.1040 41 K 4.8731 8.4404 124.0059 54.9632 34.5353 174.6747 42 V 4.6583 8.3291 115.0506 60.1718 36.9124 172.9924 43 N 4.6739 8.7808 120.0507 52.5698 39.5155 174.4395 44 A 4.6723 7.9854 129.0090 51.5252 19.2172 177.1471 45 K 4.3428 7.6784 116.4292 57.1311 32.2016 176.5291 *47 I 4.2532 7.5685 120.9136 61.7676 39.6716 178.8230 48 M 4.0741 8.2293 118.8786 58.3138 32.4657 178.0116 49 G 3.6774 8.1910 107.2471 48.7011 0.0000 174.9006 50 L 3.9044 8.2731 122.8049 58.2817 41.8852 178.8689 51 M 4.2830 7.6728 113.0281 55.9631 31.2811 177.0742 52 S 4.5469 8.2035 115.8918 59.1501 63.4185 175.2798 53 L 4.1228 7.9183 118.9687 55.0039 41.8345 176.3916 54 A 3.6653 8.0797 119.6575 52.2475 16.2073 176.3776 55 I 3.7390 7.8078 121.4542 62.7520 38.2569 176.8547 56 S 4.6751 8.4701 122.0543 57.5472 64.7820 173.5405 57 T 3.9310 8.3249 114.4680 63.1074 67.9358 174.7737 58 G 4.2521 8.9340 115.1542 45.9598 0.0000 174.9048 59 T 4.0600 7.6203 114.9781 63.4027 69.0179 173.4240 60 E 4.8683 8.4840 123.6770 54.7087 31.9312 175.2563 61 I 4.7782 8.5352 115.2052 59.9104 42.2004 173.5230 62 T 5.4545 8.6872 118.8555 61.0582 70.8160 173.7700 63 L 5.0860 8.5421 126.2447 54.1812 43.0034 175.4970 64 I 4.9272 8.1041 124.8271 60.0436 40.1735 174.8014 65 A 5.1421 8.6329 125.2908 51.0376 23.0793 175.2051 66 Q 4.7526 10.2738 123.3231 54.3456 33.2705 174.7560 67 G 4.2866 9.1492 111.1856 42.9735 0.0000 173.4083 68 E 3.8865 8.4976 119.6144 59.6633 29.4816 180.2357 69 D 4.8519 7.6630 116.7431 53.1994 40.6220 178.0891 70 E 3.8098 8.0270 121.4160 60.7587 29.2656 177.0880 71 Q 3.9679 7.8797 120.9595 58.6283 29.3024 177.1079 72 E 3.8721 7.9836 118.9679 59.2027 29.6826 179.3888 73 A 2.6270 7.5049 120.9321 54.7129 18.2775 179.5009 74 L 3.9127 7.2665 118.5211 58.2927 42.1544 177.9060 75 E 3.8382 8.3198 118.9000 60.4949 29.3195 178.4594 76 K 3.9499 8.7404 119.0036 59.1518 32.4493 178.5986 77 L 4.0369 8.4592 118.2611 58.2700 41.8896 179.6051 78 A 4.0392 8.4899 120.3065 55.0543 18.1642 179.1042 79 A 4.0029 7.8131 118.0057 56.4989 18.5993 178.3849 80 Y 3.7715 8.4691 114.6816 61.7878 38.8170 177.8848 81 V 3.9085 8.5928 120.1232 65.8079 31.9911 177.2036 82 Q 4.4179 8.2206 119.0155 56.0654 28.5040 175.9863 83 E 3.6356 8.0623 114.0299 56.4631 29.6941 173.9706 84 E 4.1675 8.4381 122.6373 57.0365 29.6163 175.3649 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 1 M 8.25 4.99 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 2 V 8.38 3.90 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 0.86 0.00 0.00 1.01 0.00 0.00 3 Q 8.25 4.94 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 4 Q 8.02 4.54 0.00 2.27 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.52 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 5 K 8.67 4.74 0.00 1.76 1.66 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.41 7.81 6 V 8.81 4.45 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 1.06 0.00 0.00 0.97 0.00 0.00 7 E 7.88 4.58 0.00 2.08 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 2.27 2.28 0.00 8 V 7.80 4.92 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 0.97 0.00 0.00 0.90 0.00 0.00 9 R 8.07 4.04 0.00 1.81 2.01 0.00 3.21 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 10 L 8.05 4.15 0.00 1.67 1.60 0.99 0.84 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 11 K 8.62 4.22 0.00 1.73 1.85 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.38 7.81 12 T 7.89 4.24 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 13 G 7.31 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 14 L 8.41 4.64 0.00 1.51 1.52 0.58 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.24 4.26 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.79 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 16 A 8.51 3.60 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.64 3.84 0.00 1.95 1.98 0.00 3.28 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 18 P 0.00 4.38 0.00 2.24 2.17 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 19 A 9.23 4.11 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.95 1.39 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 21 L 8.02 4.16 0.00 1.93 1.91 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.33 3.30 0.00 2.85 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 23 V 7.75 3.27 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 0.95 0.00 0.00 1.09 0.00 0.00 24 Q 7.89 3.92 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 25 E 7.86 3.91 0.00 2.08 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 2.25 2.20 0.00 26 A 7.57 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.78 4.16 0.00 2.67 2.83 0.00 0.00 7.19 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 28 R 6.80 3.95 0.00 1.43 1.40 0.00 2.88 0.00 0.00 3.04 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 29 F 7.55 5.25 0.00 3.10 2.92 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 30 T 8.57 4.37 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 1.24 0.00 0.00 31 S 7.64 4.38 0.00 3.73 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 32 D 9.31 4.44 0.00 2.75 2.60 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 0.00 0.00 0.00 0.00 33 I 7.90 4.92 1.70 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 1.27 1.37 0.95 0.00 0.00 34 F 9.03 5.26 0.00 2.91 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 35 L 8.19 4.83 0.00 1.79 1.58 0.84 1.35 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 36 E 9.34 5.28 0.00 2.01 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 2.27 2.29 0.00 37 K 8.65 4.48 0.00 1.74 1.70 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.39 7.81 38 D 9.62 4.25 0.00 2.76 2.67 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 39 G 8.38 4.12 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 40 K 8.86 3.73 0.00 1.84 1.81 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.62 7.81 41 K 8.44 4.87 0.00 1.69 1.66 0.00 1.54 0.00 0.00 1.31 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.50 7.81 42 V 8.33 4.66 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 0.92 0.00 0.00 1.07 0.00 0.00 43 N 8.78 4.67 0.00 2.76 2.72 0.00 0.00 6.83 7.96 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 44 A 7.99 4.67 1.36 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 0.00 0.00 45 K 7.68 4.34 0.00 1.74 1.54 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.24 7.81 *47 I 7.57 4.25 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 1.42 0.70 0.92 0.00 0.00 48 M 8.23 4.07 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 49 G 8.19 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 50 L 8.27 3.90 0.00 1.77 1.77 1.25 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 51 M 7.67 4.28 0.00 2.08 2.34 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 52 S 8.20 4.55 0.00 3.93 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 53 L 7.92 4.12 0.00 1.71 1.71 0.94 0.95 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 54 A 8.08 3.67 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 55 I 7.81 3.74 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 0.87 0.00 0.00 56 S 8.47 4.68 0.00 3.87 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 57 T 8.32 3.93 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 1.20 0.00 0.00 58 G 8.93 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 0.00 0.00 0.00 0.00 59 T 7.62 4.06 4.36 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 1.20 0.00 0.00 60 E 8.48 4.87 0.00 1.93 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 2.20 2.29 0.00 61 I 8.54 4.78 2.24 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.43 0.90 0.00 0.00 62 T 8.69 5.45 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 1.39 0.00 0.00 63 L 8.54 5.09 0.00 2.00 1.85 0.99 0.78 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 64 I 8.10 4.93 2.06 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.96 0.00 0.00 65 A 8.63 5.14 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 66 Q 10.27 4.75 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 67 G 9.15 4.29 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 0.00 0.00 0.00 68 E 8.50 3.89 0.00 1.97 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 2.33 2.29 0.00 69 D 7.66 4.85 0.00 2.85 2.90 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 70 E 8.03 3.81 0.00 2.33 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 0.00 2.57 2.28 0.00 71 Q 7.88 3.97 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 72 E 7.98 3.87 0.00 1.96 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 2.42 2.43 0.00 73 A 7.50 2.63 0.56 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 0.00 0.00 74 L 7.27 3.91 0.00 1.58 1.75 0.98 0.92 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 75 E 8.32 3.84 0.00 2.27 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 2.34 2.42 0.00 76 K 8.74 3.95 0.00 2.08 1.92 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.68 7.81 77 L 8.46 4.04 0.00 1.88 2.02 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.49 4.04 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 79 A 7.81 4.00 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 80 Y 8.47 3.77 0.00 3.05 3.19 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 81 V 8.59 3.91 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 0.95 0.00 0.00 1.06 0.00 0.00 82 Q 8.22 4.42 0.00 2.46 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 5.71 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 83 E 8.06 3.64 0.00 2.09 1.95 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 2.18 2.20 0.00 84 E 8.44 4.17 0.00 2.09 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 2.28 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.