NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3425 0.0000 0.0000 61.7701 32.7622 176.0239 3 R 3.7738 7.7712 114.7592 55.7847 29.8455 174.1387 4 S 4.4951 8.5970 108.9088 58.1116 66.0094 176.3244 5 L 4.5502 9.2734 123.9499 57.2852 44.8081 175.3476 6 K 4.2762 7.9892 115.9968 55.0643 27.1962 177.6549 7 K 4.3348 8.6952 131.2729 58.6113 34.0640 175.0642 8 G 3.0072 8.9345 122.0541 45.5297 0.0000 172.2267 9 V 3.5199 7.4243 118.0804 62.5122 32.3800 176.0143 10 F 4.4464 9.0631 130.4897 58.2642 40.9821 174.5811 11 V 4.0928 7.0509 121.0934 62.1378 33.8625 171.8778 12 D 3.9960 8.2535 128.5655 54.4613 41.1776 177.7319 13 D 4.5132 8.8081 124.6350 56.5753 39.1437 177.8343 14 H 4.8749 8.2949 111.9581 55.3495 28.9246 175.3127 15 L 4.4705 8.0530 121.2645 56.8288 41.7016 178.7087 16 L 3.9158 7.8277 121.2763 57.9683 41.9410 178.3570 17 E 4.1384 8.0445 115.3090 57.9286 29.5229 177.8833 18 K 4.3539 7.5289 119.7650 56.8940 32.5878 177.0502 19 V 4.2736 7.3800 116.1728 62.9007 33.3371 177.5946 20 L 4.1027 9.0878 120.6771 57.8407 40.2146 178.8170 21 E 4.1869 7.9540 119.3897 59.1448 29.9965 178.2396 22 L 3.9468 7.9918 118.2267 57.8399 41.5397 179.4115 23 N 4.4271 7.8661 115.3197 56.1306 38.3007 176.9470 24 A 4.0373 7.9386 121.2077 55.2379 18.3461 179.4498 25 K 4.1509 7.5868 114.9392 58.9505 32.3108 176.3999 26 G 3.6303 6.5299 110.9566 45.0405 0.0000 173.3323 27 E 4.5317 6.9572 118.0256 56.2155 33.5133 174.7416 28 K 4.3924 8.2931 113.3866 56.2734 33.2322 172.6912 29 R 3.6331 7.9306 118.8214 55.8735 29.7764 172.7979 30 L 4.3991 8.2739 129.8217 54.0343 43.3332 173.5248 31 I 4.8677 7.7914 123.8425 59.4186 41.7283 173.6805 32 K 4.5053 8.6601 122.1191 56.3174 33.6952 175.8212 33 T 4.7913 9.2386 122.8811 62.2332 70.8331 175.9539 34 W 5.0084 8.8548 129.1165 57.6133 34.3526 175.2517 35 S 4.8650 7.9659 112.6669 56.7643 62.2120 174.4988 36 R 4.2345 8.2020 124.6279 58.8790 30.0977 177.9350 37 R 4.7578 7.4070 115.7427 56.2796 29.6867 176.8084 38 S 4.8339 7.8161 112.0954 57.8375 66.5594 174.7018 39 T 4.2639 9.0757 121.6967 63.9815 69.1458 173.0128 40 I 4.7155 7.8112 121.5659 59.9489 39.9766 176.2268 41 V 4.5550 8.0029 116.3816 58.7726 35.2413 174.9916 42 P 4.4046 0.0000 0.0000 65.8640 31.2687 179.7155 43 E 4.5104 7.9426 115.2545 56.1412 28.7541 177.3065 44 M 4.5769 9.2602 118.8411 57.4687 35.5233 175.5200 45 V 3.5200 6.7721 117.4381 64.0751 31.4547 174.1784 46 G 4.3352 7.5583 117.0727 46.1348 0.0000 178.8326 47 H 4.4887 7.2174 117.3994 55.0002 29.3147 174.0849 48 T 4.9941 8.2311 116.1431 63.0782 72.7795 173.1389 49 I 4.8608 9.6542 126.5420 59.3969 41.1353 174.2993 50 A 5.4781 8.2194 125.7807 50.4332 20.2919 175.7129 51 V 4.5854 8.5371 123.1531 61.4407 34.3574 174.5257 52 Y 4.8740 8.3230 128.2794 56.3946 40.2294 175.2003 53 N 4.6904 7.6597 118.2464 51.9117 38.6515 174.4163 54 G 3.7677 6.1179 105.6144 45.8856 0.0000 174.1870 55 K 5.0199 6.2066 116.9848 57.6188 37.6592 174.6020 56 Q 4.6246 7.0268 116.5239 54.7573 33.5766 174.0121 57 H 5.1617 8.8166 119.5336 54.4793 29.7705 174.7346 58 V 4.0910 9.7970 118.6931 59.6922 33.0854 174.1736 59 P 4.5266 0.0000 0.0000 63.1921 31.6279 176.1320 60 V 4.2304 9.6608 127.6434 61.1608 33.5236 174.1507 61 Y 4.8146 8.5784 130.7789 56.2610 38.9208 174.7242 62 I 3.8498 8.2051 129.0132 61.4085 39.1998 175.1061 63 T 4.7535 8.0144 123.9358 61.1252 71.1932 172.5182 64 E 3.7422 8.5049 122.2387 58.8690 30.2532 180.1591 65 N 3.9558 7.3770 118.2310 55.9236 39.4578 176.2722 66 M 3.9949 7.9668 117.1119 54.0087 30.8376 176.2790 67 V 3.5173 7.2612 119.8442 65.7818 31.8509 177.3324 68 G 3.9126 8.5134 103.6769 46.6592 0.0000 172.8526 69 H 4.8930 8.5845 117.7053 54.1149 29.8653 175.1352 70 K 4.6307 7.9618 121.9505 55.8629 33.3432 178.1507 71 L 4.3059 8.4654 123.3927 57.7658 41.0493 179.7832 72 G 3.8606 8.4197 104.5947 46.4365 0.0000 174.5806 73 E 4.2076 7.8048 119.2684 57.4540 29.8287 176.5583 74 F 4.5017 8.1044 114.2848 57.3156 40.2555 174.6102 75 A 4.6089 7.6553 123.6858 49.1474 19.7857 174.6799 76 P 4.0907 0.0000 0.0000 64.7506 31.1583 176.1523 77 T 4.3142 8.3877 115.9343 62.0043 67.8522 173.8532 78 R 4.5595 7.1787 117.0974 56.9321 33.4726 173.4519 79 T 4.6537 8.2422 114.3045 63.0765 72.2089 172.4663 80 Y 4.7044 7.9963 125.4083 56.1726 42.7175 173.7127 81 R 2.6842 5.8400 119.3668 56.7617 28.2078 175.9527 *82 G 3.7389 7.8567 109.8056 45.9628 0.0000 172.2203 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 P 0.00 4.34 0.00 2.19 2.20 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 3 R 7.77 3.77 0.00 2.03 2.04 0.00 3.10 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 4 S 8.60 4.50 0.00 3.94 3.84 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 5 L 9.27 4.55 0.00 1.65 1.75 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.99 4.28 0.00 1.84 1.87 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.22 7.81 7 K 8.70 4.33 0.00 1.82 1.80 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.45 7.81 8 G 8.93 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.42 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 0.81 0.00 0.00 0.97 0.00 0.00 10 F 9.06 4.45 0.00 3.19 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 11 V 7.05 4.09 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 0.95 0.00 0.00 12 D 8.25 4.00 0.00 2.58 2.34 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 13 D 8.81 4.51 0.00 2.82 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 14 H 8.29 4.87 0.00 3.28 3.46 0.00 5.10 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.05 4.47 0.00 1.79 1.81 0.88 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.83 3.92 0.00 1.66 1.77 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.04 4.14 0.00 2.21 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 0.00 2.52 2.25 0.00 18 K 7.53 4.35 0.00 1.97 2.01 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.52 0.00 0.00 0.00 0.00 1.42 1.38 7.81 19 V 7.38 4.27 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 0.88 0.00 0.00 0.96 0.00 0.00 20 L 9.09 4.10 0.00 1.80 1.84 0.91 0.88 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 21 E 7.95 4.19 0.00 2.02 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 2.36 2.45 0.00 22 L 7.99 3.95 0.00 1.69 1.66 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.87 4.43 0.00 2.78 2.87 0.00 0.00 6.68 7.28 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 24 A 7.94 4.04 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 K 7.59 4.15 0.00 1.94 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.43 7.81 26 G 6.53 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 27 E 6.96 4.53 0.00 1.89 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 2.23 2.29 0.00 28 K 8.29 4.39 0.00 1.57 1.55 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.11 1.29 7.81 29 R 7.93 3.63 0.00 1.78 1.89 0.00 3.39 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 30 L 8.27 4.40 0.00 1.73 1.62 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.79 4.87 1.87 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 1.58 1.38 0.92 0.00 0.00 32 K 8.66 4.51 0.00 1.74 1.75 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.48 7.81 33 T 9.24 4.79 4.39 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 1.34 0.00 0.00 34 W 8.85 5.01 0.00 3.45 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 35 S 7.97 4.86 0.00 4.26 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 36 R 8.20 4.23 0.00 2.22 2.30 0.00 3.04 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 37 R 7.41 4.76 0.00 2.14 2.13 0.00 3.12 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 38 S 7.82 4.83 0.00 3.81 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 0.00 39 T 9.08 4.26 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 1.27 0.00 0.00 40 I 7.81 4.72 2.30 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.76 0.91 0.00 0.00 41 V 8.00 4.56 2.21 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 0.86 0.00 0.00 0.91 0.00 0.00 42 P 0.00 4.40 0.00 2.16 2.09 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 43 E 7.94 4.51 0.00 2.07 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 2.27 2.29 0.00 44 M 9.26 4.58 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 45 V 6.77 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 0.77 0.00 0.00 0.98 0.00 0.00 46 G 7.56 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 0.00 0.00 0.00 0.00 47 H 7.22 4.49 0.00 3.17 3.17 0.00 5.58 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.23 4.99 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 1.18 0.00 0.00 49 I 9.65 4.86 1.88 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 1.00 0.93 0.00 0.00 50 A 8.22 5.48 1.24 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 51 V 8.54 4.59 2.12 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 0.98 0.00 0.00 0.97 0.00 0.00 52 Y 8.32 4.87 0.00 2.30 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 53 N 7.66 4.69 0.00 2.70 2.68 0.00 0.00 6.22 7.00 0.00 0.00 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 G 6.12 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 55 K 6.21 5.02 0.00 1.60 1.61 0.00 1.51 0.00 0.00 2.41 0.00 0.00 3.12 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.41 7.81 56 Q 7.03 4.62 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 57 H 8.82 5.16 0.00 3.01 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.80 4.09 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 0.70 0.00 0.00 1.02 0.00 0.00 59 P 0.00 4.53 0.00 2.10 2.12 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 60 V 9.66 4.23 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 0.93 0.00 0.00 1.06 0.00 0.00 61 Y 8.58 4.81 0.00 2.98 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 62 I 8.21 3.85 1.85 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.99 1.00 0.00 0.00 63 T 8.01 4.75 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 1.10 0.00 0.00 64 E 8.50 3.74 0.00 2.00 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 2.36 2.35 0.00 65 N 7.38 3.96 0.00 2.86 2.84 0.00 0.00 6.03 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 66 M 7.97 3.99 0.00 1.97 1.70 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 67 V 7.26 3.52 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 0.98 0.00 0.00 68 G 8.51 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 0.00 0.00 0.00 69 H 8.58 4.89 0.00 3.39 3.98 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.96 4.63 0.00 1.93 1.77 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.56 7.81 71 L 8.47 4.31 0.00 1.90 1.78 1.01 0.98 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 72 G 8.42 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.80 4.21 0.00 2.05 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 0.00 1.90 2.19 0.00 74 F 8.10 4.50 0.00 3.06 3.08 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 0.00 75 A 7.66 4.61 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 76 P 0.00 4.09 0.00 2.17 2.12 0.00 3.77 0.00 0.00 3.60 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 77 T 8.39 4.31 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 78 R 7.18 4.56 0.00 1.80 1.83 0.00 3.20 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 79 T 8.24 4.65 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 1.21 0.00 0.00 80 Y 8.00 4.70 0.00 2.83 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 81 R 5.84 2.68 0.00 1.20 1.62 0.00 3.33 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.00 *82 G 7.86 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.