NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3672 8.2893 118.1971 54.6432 32.6597 174.5309 2 V 3.5224 8.3036 122.6298 61.9207 30.5880 174.1524 3 K 5.3123 8.8764 127.8893 55.0489 35.8252 176.5722 4 I 4.9530 7.9653 119.9890 60.2076 40.8787 175.0483 5 R 4.4386 9.7522 123.1126 56.4818 33.8119 172.1375 6 L 5.1687 8.0058 119.0602 55.6205 44.6612 175.4156 7 A 4.2019 8.3802 111.6962 51.6776 20.1569 174.9296 8 R 2.7524 7.3906 119.1290 55.7031 30.4037 174.8311 9 F 5.3525 9.2775 128.3291 56.9237 41.9944 174.9187 10 G 4.0599 8.6712 110.2121 46.4282 0.0000 172.5144 11 S 4.5338 8.1564 116.2021 56.0895 65.1731 173.3912 12 K 3.7268 8.1755 122.0405 58.6007 31.6613 175.9408 13 H 4.0946 9.5627 125.3287 55.9972 24.7027 174.7485 14 N 4.5642 7.5479 107.7113 51.4757 40.5071 172.3332 15 P 4.3975 0.0000 0.0000 63.7885 32.2257 177.1236 16 H 4.6246 8.4212 120.1484 55.1860 32.6527 172.7901 17 Y 4.2427 8.6103 120.7419 56.8733 40.3366 175.1854 18 R 4.7822 8.2275 120.2897 54.2892 32.4919 174.5078 19 I 4.0493 8.2673 128.2836 62.2684 37.7950 175.7166 20 V 4.8604 9.6258 126.8421 60.3948 35.2951 173.1964 21 V 4.4465 7.9353 122.2249 60.7491 33.3760 175.2146 22 T 4.7132 7.8403 113.0562 61.0530 71.7720 172.7142 23 D 4.6024 8.2049 118.9388 53.6938 42.2609 177.9801 24 A 4.0906 8.4993 126.0908 55.4592 18.4469 179.2146 25 R 4.1706 9.1955 112.9925 57.2444 30.2989 177.1892 26 R 4.2121 7.2548 116.7034 55.2928 30.7583 176.1229 27 K 4.3034 8.1231 119.3107 55.4257 33.7158 175.8730 28 R 3.6245 7.9364 117.1677 61.0283 29.9796 177.0478 29 D 4.7078 8.0311 115.7408 54.5760 40.7178 177.0046 30 G 3.8015 7.9617 109.3086 44.9071 0.0000 175.1190 31 K 4.0500 8.2813 120.9905 55.9639 30.1458 174.9997 32 Y 4.2549 8.0673 122.4297 56.5971 38.6499 176.5551 33 I 3.8727 8.4994 125.4521 64.0659 37.4997 175.8947 34 E 4.7440 8.1616 122.0650 54.7306 33.2611 173.3623 35 K 4.3623 9.0722 129.2073 56.1365 32.8177 176.1059 36 I 4.4116 8.5627 119.4760 61.5158 40.6407 174.8762 37 G 4.1058 7.3447 108.0290 47.0181 0.0000 171.1348 38 Y 5.4482 7.1202 116.0676 57.0530 42.4318 172.9339 39 Y 5.1792 8.3424 114.9919 57.4987 43.2742 172.5540 40 D 4.5143 8.8530 127.5542 51.6363 40.4004 174.6065 41 P 4.1354 0.0000 0.0000 63.9687 31.1966 177.5003 42 R 4.2173 8.7872 117.2916 55.5246 30.7915 176.1648 43 K 3.8587 8.5221 117.7273 57.3509 30.3528 175.6719 44 T 4.3499 7.7339 105.7693 62.1745 68.4040 174.1314 45 T 4.7068 7.9148 118.0230 61.4996 71.8719 172.1995 46 P 4.2319 0.0000 0.0000 65.3080 31.0805 175.5951 47 D 4.3480 7.8357 116.9275 51.9200 44.3849 174.1030 48 W 4.6955 7.1438 122.4961 55.8524 27.7353 178.8443 49 L 4.9522 10.1606 114.7190 54.8985 42.6370 174.9812 50 K 4.3415 8.5817 124.4434 55.8537 35.3439 173.8463 51 V 4.5405 8.4530 127.4251 60.3939 34.1149 175.2602 52 D 4.6512 8.2693 126.3258 56.6237 40.1933 178.4214 53 V 3.3788 7.0486 117.4025 64.2573 32.1273 177.9792 54 E 3.8890 8.0471 117.5886 60.0454 29.7049 179.6436 55 R 3.9858 8.5814 117.9818 58.7723 30.2141 178.8220 56 A 4.1585 7.9399 119.8878 55.6985 18.5977 179.1731 57 R 3.7485 8.1678 116.3822 60.1024 29.9595 177.9195 58 Y 3.9008 7.8508 119.1627 60.1804 38.8579 178.0975 59 W 4.6245 8.2137 118.6605 60.1983 29.1940 178.5018 60 L 4.1205 8.3077 118.9286 57.4116 40.8714 179.1130 61 S 4.2115 8.3427 113.6628 60.0188 63.0028 175.0117 62 V 4.0478 7.1776 116.4119 60.6403 32.4129 173.8160 63 G 3.8075 8.6855 114.4468 45.6513 0.0000 173.6421 64 A 5.0308 8.6810 124.7187 51.3682 21.5346 176.9785 65 Q 3.5067 7.2158 111.1864 55.9606 25.9869 174.4174 66 P 4.6875 0.0000 0.0000 62.5857 32.3937 176.6863 67 T 3.9869 8.4017 115.4424 64.1352 69.4598 175.2647 68 D 4.4246 8.8335 123.7908 58.0719 40.7080 179.2424 69 T 3.8159 7.8056 111.2669 64.8804 67.5262 175.6474 70 A 4.0654 7.8900 122.4179 55.0033 18.4734 179.0601 71 R 3.9322 8.9762 118.3438 59.8985 30.0356 177.9524 72 R 3.8305 7.8105 117.6204 59.6602 29.8985 178.1235 73 L 3.9832 7.3012 116.0214 56.4391 42.0061 178.2722 74 L 4.5089 7.9178 119.0987 56.6252 42.6703 178.2813 75 R 4.1276 8.1382 117.8870 59.8794 29.8568 178.1541 76 Q 3.6577 8.6548 117.2015 58.2163 29.0903 176.9920 77 A 4.4276 8.2192 120.2948 51.6623 19.7680 176.4565 78 G 3.6174 8.8135 105.6450 46.4049 0.0000 174.7823 79 V 3.8618 7.2087 118.6612 64.3198 32.5257 176.7613 80 F 4.0275 8.9707 120.5970 61.0281 39.4553 175.8270 81 R 3.5449 6.7729 118.6291 55.1089 29.8156 175.4428 82 Q 4.4022 8.7246 122.0735 55.1802 28.4984 174.8575 83 E 3.6901 7.6190 117.4438 57.8384 28.5905 174.2460 *84 A 4.1104 7.6858 125.9834 52.5815 18.9361 176.3302 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 8.29 4.37 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 2 V 8.30 3.52 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 0.84 0.00 0.00 0.98 0.00 0.00 3 K 8.88 5.31 0.00 1.77 1.80 0.00 1.89 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.45 7.81 4 I 7.97 4.95 1.86 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 1.30 0.93 0.89 0.00 0.00 5 R 9.75 4.44 0.00 1.85 1.93 0.00 2.74 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 6 L 8.01 5.17 0.00 1.80 2.11 0.92 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.38 4.20 0.74 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 0.00 0.00 8 R 7.39 2.75 0.00 1.12 1.58 0.00 3.03 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.00 9 F 9.28 5.35 0.00 3.24 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 10 G 8.67 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 11 S 8.16 4.53 0.00 3.84 3.79 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 0.00 0.00 0.00 12 K 8.18 3.73 0.00 1.64 1.69 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.95 1.31 7.81 13 H 9.56 4.09 0.00 3.39 3.46 0.00 5.79 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.55 4.56 0.00 2.62 2.83 0.00 0.00 7.27 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 15 P 0.00 4.40 0.00 2.03 1.92 0.00 3.73 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 16 H 8.42 4.62 0.00 3.09 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.61 4.24 0.00 2.99 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 18 R 8.23 4.78 0.00 1.88 1.67 0.00 3.12 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 19 I 8.27 4.05 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 0.88 0.00 0.00 20 V 9.63 4.86 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 0.63 0.00 0.00 0.90 0.00 0.00 21 V 7.94 4.45 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.27 0.00 0.00 22 T 7.84 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 1.28 0.00 0.00 23 D 8.20 4.60 0.00 2.74 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 24 A 8.50 4.09 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 25 R 9.20 4.17 0.00 1.79 1.99 0.00 3.17 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 26 R 7.25 4.21 0.00 1.89 1.88 0.00 3.15 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 27 K 8.12 4.30 0.00 1.87 1.85 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.38 7.81 28 R 7.94 3.62 0.00 1.85 1.81 0.00 3.18 0.00 0.00 3.34 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 29 D 8.03 4.71 0.00 2.77 2.81 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 30 G 7.96 3.80 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 0.00 0.00 0.00 31 K 8.28 4.05 0.00 1.68 1.74 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.26 7.81 32 Y 8.07 4.25 0.00 3.04 2.94 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 33 I 8.50 3.87 1.78 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.63 0.00 0.00 34 E 8.16 4.74 0.00 2.03 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.77 0.00 35 K 9.07 4.36 0.00 1.62 1.81 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.28 7.81 36 I 8.56 4.41 1.86 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 1.17 0.57 1.02 0.00 0.00 37 G 7.34 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.12 5.45 0.00 3.19 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 39 Y 8.34 5.18 0.00 3.21 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 40 D 8.85 4.51 0.00 2.68 2.63 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 41 P 0.00 4.14 0.00 2.10 1.88 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 42 R 8.79 4.22 0.00 1.83 1.98 0.00 3.30 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 43 K 8.52 3.86 0.00 1.95 2.06 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.95 0.97 7.81 44 T 7.73 4.35 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 1.26 0.00 0.00 45 T 7.91 4.71 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 1.31 0.00 0.00 46 P 0.00 4.23 0.00 2.13 2.22 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 47 D 7.84 4.35 0.00 2.48 2.49 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 0.00 0.00 0.00 0.00 48 W 7.14 4.70 0.00 3.80 2.36 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 49 L 10.16 4.95 0.00 2.06 2.53 1.09 0.81 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 50 K 8.58 4.34 0.00 2.24 1.70 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.42 7.81 51 V 8.45 4.54 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 0.85 0.00 0.00 0.92 0.00 0.00 52 D 8.27 4.65 0.00 2.84 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 53 V 7.05 3.38 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 0.76 0.00 0.00 0.93 0.00 0.00 54 E 8.05 3.89 0.00 1.93 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 2.32 2.39 0.00 55 R 8.58 3.99 0.00 2.08 2.16 0.00 3.34 0.00 0.00 3.49 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.01 0.00 56 A 7.94 4.16 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 57 R 8.17 3.75 0.00 2.05 2.00 0.00 3.29 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 58 Y 7.85 3.90 0.00 2.78 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 59 W 8.21 4.62 0.00 3.66 3.32 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 0.00 60 L 8.31 4.12 0.00 1.73 1.67 0.67 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.34 4.21 0.00 3.84 4.13 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 62 V 7.18 4.05 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 0.44 0.00 0.00 0.81 0.00 0.00 63 G 8.69 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 0.00 0.00 0.00 64 A 8.68 5.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.22 3.51 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 66 P 0.00 4.69 0.00 2.23 2.14 0.00 3.90 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 67 T 8.40 3.99 4.34 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 1.23 0.00 0.00 68 D 8.83 4.42 0.00 2.67 2.69 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 69 T 7.81 3.82 4.19 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 1.18 0.00 0.00 70 A 7.89 4.07 1.40 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 0.00 0.00 71 R 8.98 3.93 0.00 2.02 2.18 0.00 3.13 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 72 R 7.81 3.83 0.00 1.89 2.08 0.00 3.08 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 73 L 7.30 3.98 0.00 1.68 1.65 -0.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.92 4.51 0.00 2.31 1.81 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.14 4.13 0.00 1.61 1.99 0.00 3.07 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 76 Q 8.65 3.66 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 77 A 8.22 4.43 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 78 G 8.81 3.62 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 0.00 0.00 0.00 79 V 7.21 3.86 2.24 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 0.46 0.00 0.00 1.00 0.00 0.00 80 F 8.97 4.03 0.00 2.97 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 81 R 6.77 3.54 0.00 1.86 1.91 0.00 3.24 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 82 Q 8.72 4.40 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.05 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 83 E 7.62 3.69 0.00 2.14 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 2.23 2.24 0.00 *84 A 7.69 4.11 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 * Residues marked with a * may have inaccurate shift predictions.