NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6210 8.1476 118.3353 55.3568 33.6468 173.9477 2 V 4.2662 8.1554 117.4128 61.2901 33.8365 173.6131 3 K 4.9860 9.8734 121.3178 54.6617 37.9540 176.1984 4 I 5.0773 8.1444 120.3765 60.4819 40.9044 175.0047 5 R 4.7827 9.1672 123.2231 55.0480 33.6100 173.6341 6 L 5.0054 8.4509 119.2087 53.9130 42.8004 176.6456 7 A 4.5057 8.6881 126.0754 49.6883 20.3513 175.7069 8 R 3.3446 8.1602 121.3063 58.3722 30.8293 175.7121 9 F 4.5652 8.1675 117.9669 58.3735 43.4360 174.6479 10 G 3.7948 9.0767 108.6630 46.7319 0.0000 170.7180 11 S 4.9571 7.5745 116.9734 56.5025 66.0805 173.0924 12 K 4.0192 8.3803 121.3453 58.1882 32.4868 177.9594 13 H 4.2499 8.8694 120.4072 56.5239 26.8675 174.5527 14 N 5.0514 7.5874 116.8622 50.9559 38.4816 171.7959 15 P 4.3217 0.0000 0.0000 63.5352 32.7717 177.2284 16 H 4.7474 8.0147 118.6205 55.5442 31.5480 172.4069 17 Y 4.8301 9.0703 121.1398 57.3176 40.2677 174.4143 18 R 5.1057 8.6020 121.7409 54.4566 33.3589 174.7981 19 I 4.3787 8.8567 128.5033 61.8301 38.2752 175.6432 20 V 4.9089 8.8794 125.0996 60.3844 35.4758 174.2571 21 V 4.9407 8.6902 122.4415 59.2806 32.0268 174.0681 22 T 4.8094 7.7802 123.7815 60.6493 71.6947 170.4960 23 D 4.6309 8.5080 120.6290 53.2102 42.0457 177.6591 24 A 3.9655 8.5909 129.7912 55.6447 18.7517 178.9528 25 R 4.0196 8.7864 114.3198 59.2361 30.2316 177.7810 26 R 4.0624 7.6921 115.6562 55.8630 30.8418 176.3486 27 K 4.2088 8.2390 118.1450 56.1520 33.3084 177.2572 28 R 3.7393 8.3013 118.9138 60.1259 30.1475 177.4839 29 D 4.5067 7.5630 117.1844 54.1531 41.5532 177.0618 30 G 3.8653 7.5631 111.8417 45.3223 0.0000 174.6019 31 K 4.2442 8.1901 118.2238 54.1428 29.6880 175.9735 32 Y 4.4170 7.6008 120.8268 56.0079 38.6306 178.3993 33 I 3.9576 7.9974 123.6505 64.4727 37.7591 175.7655 34 E 4.4907 7.2079 117.7083 55.3772 33.7119 174.7223 35 K 4.8209 8.3594 125.2373 54.6215 34.0663 175.6556 36 I 4.5163 9.6278 117.6844 59.7258 39.5887 175.7487 37 G 3.8181 7.0352 110.3596 45.9916 0.0000 169.6302 38 Y 5.5879 6.6406 116.5141 56.5352 42.0219 173.3797 39 Y 5.5854 8.8533 114.8162 58.1983 43.1021 172.6117 40 D 4.5955 8.5879 128.5546 51.9824 42.0091 175.0559 41 P 3.9652 0.0000 0.0000 63.5826 31.3575 176.8676 42 R 4.2037 7.3149 116.0931 54.9335 31.5967 176.2322 43 K 3.6455 7.4886 116.1792 57.0865 29.9841 177.4680 44 T 3.8292 7.4160 110.7699 64.2222 68.5124 173.8324 45 T 4.6052 7.2758 116.0385 59.3731 68.6918 172.8714 46 P 4.5896 0.0000 0.0000 65.0497 31.8574 176.3895 47 D 4.8266 7.7039 119.3722 52.3115 40.3298 175.1738 48 W 5.0015 7.2998 116.8993 55.1307 30.0858 177.9525 49 L 4.8079 7.0530 117.6137 55.0618 41.1591 174.7272 50 K 3.8911 7.4419 120.7702 56.5513 33.8126 177.0248 51 V 4.3662 7.8851 123.5523 61.7740 32.1076 171.9924 52 D 4.3802 7.5940 121.9176 53.0930 40.8700 177.5623 53 V 3.6160 8.4484 119.9528 64.1989 31.5428 177.4738 54 E 3.9224 8.1966 116.3016 59.7805 29.6046 179.1792 55 R 3.9969 7.9003 117.0258 59.5377 28.7018 178.6861 56 A 4.1945 7.8424 119.9481 55.7855 18.1549 179.8698 57 R 4.1151 8.0173 115.9908 59.6534 30.0674 178.1651 58 Y 3.8623 8.0771 119.3941 60.4215 38.5582 178.0556 59 W 5.0557 7.6249 119.6235 59.3524 29.2732 177.5229 60 L 4.5049 7.8034 118.7092 56.0776 41.5383 178.8285 61 S 4.0650 8.2996 114.2704 61.0990 63.0066 176.3070 62 V 4.0863 7.5811 113.8741 60.4773 31.8089 176.3928 63 G 3.8267 8.8433 105.8207 46.5028 0.0000 173.5905 64 A 4.7229 7.8720 124.3822 51.3984 20.6237 174.5097 65 Q 4.1606 8.5477 120.0650 56.3880 29.8810 174.0754 66 P 5.1538 0.0000 0.0000 61.1756 33.7075 175.5964 67 T 4.0646 8.3864 117.9288 63.7199 68.7365 175.3294 68 D 4.2823 8.6739 122.9799 57.6432 40.9354 178.3259 69 T 3.9191 7.7226 110.2907 62.6463 67.7654 175.3669 70 A 4.2485 7.6025 122.6793 55.0332 19.1805 179.2738 71 R 3.8034 8.3223 114.6204 58.6613 29.5515 178.8634 72 R 3.7254 7.2739 120.5472 59.5282 29.9632 178.0388 73 L 4.1932 7.6105 115.4961 56.1414 42.0177 178.1773 74 L 4.4514 7.2040 119.2920 56.4252 42.3194 178.7892 75 R 3.7419 7.9737 119.4903 59.3755 30.0469 177.7406 76 Q 4.1808 8.1292 115.0246 57.0925 28.7838 175.7585 77 A 4.4485 7.6390 117.9215 51.6146 20.2458 175.0678 78 G 3.8214 8.7066 108.1527 45.4521 0.0000 173.2140 79 V 4.4059 8.0472 120.9895 63.1035 34.4470 176.0130 80 F 4.4340 8.6988 115.7973 57.7936 39.4485 175.7247 81 R 4.3635 7.8504 121.3206 55.7769 30.6078 175.6085 82 Q 4.4487 8.1282 118.8232 54.5405 30.1530 175.4900 83 E 3.7871 8.3197 121.2982 57.6216 28.2189 174.0761 *84 A 4.1104 7.8089 123.5167 52.4175 18.9361 176.1871 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 8.15 4.62 0.00 2.09 2.34 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 2.56 2.51 0.00 2 V 8.16 4.27 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 0.82 0.00 0.00 0.78 0.00 0.00 3 K 9.87 4.99 0.00 1.60 1.72 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.24 7.81 4 I 8.14 5.08 1.90 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 1.36 1.02 0.97 0.00 0.00 5 R 9.17 4.78 0.00 1.82 2.00 0.00 2.76 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 6 L 8.45 5.01 0.00 1.54 1.97 0.82 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.69 4.51 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 8 R 8.16 3.34 0.00 1.05 1.52 0.00 3.11 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.06 0.00 9 F 8.17 4.57 0.00 3.18 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 10 G 9.08 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 0.00 0.00 0.00 11 S 7.57 4.96 0.00 3.85 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 8.38 4.02 0.00 1.74 1.62 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.17 1.32 7.81 13 H 8.87 4.25 0.00 3.36 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.59 5.05 0.00 2.75 2.66 0.00 0.00 7.16 8.77 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 15 P 0.00 4.32 0.00 2.21 2.17 0.00 3.79 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 2.10 2.17 0.00 16 H 8.01 4.75 0.00 3.11 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 9.07 4.83 0.00 3.31 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 18 R 8.60 5.11 0.00 2.36 2.18 0.00 3.81 0.00 0.00 3.55 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 19 I 8.86 4.38 2.09 0.00 0.00 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 1.50 1.20 0.95 0.00 0.00 20 V 8.88 4.91 2.51 0.00 0.00 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 1.08 0.00 0.00 21 V 8.69 4.94 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 0.52 0.00 0.00 -0.41 0.00 0.00 22 T 7.78 4.81 4.31 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 1.20 0.00 0.00 23 D 8.51 4.63 0.00 2.74 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 3.97 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 25 R 8.79 4.02 0.00 1.87 2.00 0.00 3.19 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 26 R 7.69 4.06 0.00 1.92 1.87 0.00 3.16 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 27 K 8.24 4.21 0.00 1.87 1.91 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.32 7.81 28 R 8.30 3.74 0.00 1.76 1.94 0.00 3.27 0.00 0.00 3.24 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 29 D 7.56 4.51 0.00 2.58 2.45 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 0.00 30 G 7.56 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 0.00 0.00 0.00 31 K 8.19 4.24 0.00 1.72 1.76 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 32 Y 7.60 4.42 0.00 3.03 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 33 I 8.00 3.96 1.65 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.61 0.86 0.00 0.00 34 E 7.21 4.49 0.00 1.96 1.63 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 2.02 2.10 0.00 35 K 8.36 4.82 0.00 1.22 1.44 0.00 1.95 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.35 1.65 7.81 36 I 9.63 4.52 1.91 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 1.16 0.82 1.01 0.00 0.00 37 G 7.04 3.82 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 0.00 0.00 0.00 38 Y 6.64 5.59 0.00 3.18 3.23 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 39 Y 8.85 5.59 0.00 3.26 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 40 D 8.59 4.60 0.00 2.75 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 41 P 0.00 3.97 0.00 2.20 2.25 0.00 3.30 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.14 0.00 42 R 7.31 4.20 0.00 1.64 1.86 0.00 3.27 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 43 K 7.49 3.65 0.00 1.66 1.45 0.00 0.99 0.00 0.00 1.20 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 7.42 3.83 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 1.19 0.00 0.00 45 T 7.28 4.61 4.30 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 1.39 0.00 0.00 46 P 0.00 4.59 0.00 2.28 2.24 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 47 D 7.70 4.83 0.00 2.69 2.70 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 48 W 7.30 5.00 0.00 3.63 3.39 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 49 L 7.05 4.81 0.00 1.52 1.00 1.18 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.44 3.89 0.00 1.53 0.85 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.32 7.81 51 V 7.89 4.37 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 1.08 0.00 0.00 0.91 0.00 0.00 52 D 7.59 4.38 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 53 V 8.45 3.62 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 0.97 0.00 0.00 0.92 0.00 0.00 54 E 8.20 3.92 0.00 1.92 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 2.31 2.36 0.00 55 R 7.90 4.00 0.00 2.00 2.06 0.00 3.24 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 56 A 7.84 4.19 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 57 R 8.02 4.12 0.00 2.06 1.95 0.00 3.10 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 58 Y 8.08 3.86 0.00 2.81 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 59 W 7.62 5.06 0.00 3.47 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 60 L 7.80 4.50 0.00 1.72 1.63 0.69 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.30 4.06 0.00 3.76 3.82 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 62 V 7.58 4.09 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 0.46 0.00 0.00 1.27 0.00 0.00 63 G 8.84 3.83 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 0.00 0.00 0.00 64 A 7.87 4.72 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 65 Q 8.55 4.16 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 66 P 0.00 5.15 0.00 2.13 2.11 0.00 3.85 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 67 T 8.39 4.06 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 1.19 0.00 0.00 68 D 8.67 4.28 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 7.72 3.92 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 1.13 0.00 0.00 70 A 7.60 4.25 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 71 R 8.32 3.80 0.00 1.99 2.27 0.00 2.79 0.00 0.00 3.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.47 0.00 72 R 7.27 3.73 0.00 1.98 2.03 0.00 3.04 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 1.56 1.62 0.00 73 L 7.61 4.19 0.00 1.54 1.64 -0.23 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.20 4.45 0.00 2.03 2.13 1.06 0.83 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 75 R 7.97 3.74 0.00 1.07 1.62 0.00 2.93 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.23 0.00 76 Q 8.13 4.18 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 77 A 7.64 4.45 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 78 G 8.71 3.82 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 0.00 0.00 0.00 79 V 8.05 4.41 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 0.80 0.00 0.00 1.06 0.00 0.00 80 F 8.70 4.43 0.00 2.94 3.12 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 81 R 7.85 4.36 0.00 1.82 1.86 0.00 3.19 0.00 0.00 3.58 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 82 Q 8.13 4.45 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.99 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 83 E 8.32 3.79 0.00 2.14 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 0.00 2.22 2.23 0.00 *84 A 7.81 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.