NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.5275 8.4104 110.3209 62.1356 70.2074 174.1156 4 A 4.3839 7.9714 124.2253 52.6293 21.2875 175.8608 5 Y 4.9719 8.3722 112.9045 58.5423 40.5642 176.2830 6 D 4.6857 8.1525 117.9155 54.9128 40.4930 177.4633 7 V 4.1241 8.8440 120.7158 64.8919 33.0005 175.7697 8 I 4.0231 7.7133 120.1091 61.5159 37.3198 173.9952 9 L 4.7952 9.0541 124.1892 55.6336 43.5044 176.3024 10 A 4.9821 7.8664 118.6226 49.9098 22.9885 173.0039 11 P 5.0762 0.0000 0.0000 62.5033 32.4002 176.5501 12 V 4.2132 8.0860 122.4428 60.9482 33.0586 176.3584 13 L 4.1962 8.4783 121.9321 52.8204 43.0783 175.7983 14 S 4.5478 7.2104 116.4637 55.1595 66.4450 175.1054 15 E 3.9896 8.9503 121.7061 60.0315 28.9564 179.5950 16 K 3.7921 8.0927 117.1015 59.7726 32.4743 177.8539 17 A 4.0289 8.0468 121.0536 55.5107 18.1864 179.1128 18 Y 3.4983 7.5835 114.1049 61.0652 37.6697 178.6967 19 A 4.0985 8.7215 122.0671 55.5051 18.3272 179.7797 20 G 3.7263 8.2933 103.4400 48.1917 0.0000 175.6891 21 F 3.9071 9.4119 119.2775 61.0425 39.2514 177.6248 22 A 4.1852 7.4980 121.9533 54.4662 19.9577 177.1360 23 E 4.4302 8.6801 111.0874 56.1114 29.5485 177.7977 24 G 3.5772 9.5076 103.2396 45.8302 0.0000 173.2307 25 K 3.7799 7.7357 126.5870 56.4733 33.1077 174.3322 26 Y 4.4365 7.8763 118.9915 55.8744 40.8574 174.1874 27 T 4.1407 7.8397 112.9200 60.4830 69.5483 173.0461 28 F 4.8575 8.0188 122.5299 54.9486 43.7493 174.3562 29 W 4.5838 9.2753 122.2583 57.3636 29.7872 176.2097 30 V 5.1968 7.9049 126.4935 61.2227 33.7686 173.6457 31 H 4.5612 8.8824 119.9597 55.1255 30.0463 174.1231 32 P 3.9570 0.0000 0.0000 65.7129 31.9805 178.2330 33 K 4.2879 7.4012 118.9628 56.0598 35.1513 176.0615 34 A 3.7506 8.8277 119.0924 53.5663 16.6876 178.7075 35 T 3.7476 8.7361 110.9385 64.6537 67.6837 175.0816 36 K 4.6711 7.8073 117.2546 55.9711 31.5477 175.9332 37 T 3.9323 8.6132 120.8043 66.3639 68.6863 175.6097 38 E 4.5246 8.2520 120.3125 56.8151 28.7412 177.3339 39 I 4.2846 7.7435 111.5173 61.0519 37.6472 177.2900 40 K 4.1157 7.5838 121.9185 60.2179 33.4162 178.7907 41 N 4.8129 8.0278 118.1072 50.9359 36.3263 174.6254 42 A 4.5994 7.6560 120.0854 54.5799 23.1583 178.2188 43 V 3.9805 7.8604 115.2603 63.6827 31.7546 177.4454 44 E 4.3720 8.2129 116.7775 57.1794 29.8596 177.2934 45 T 4.5614 7.8808 108.2888 61.5278 69.5551 174.4207 46 A 4.2785 7.9139 124.1133 52.9049 21.0431 177.1730 47 F 4.5325 8.4922 111.2856 56.2649 39.4760 176.4662 48 K 3.8504 8.0480 113.9080 56.2498 28.4742 173.5789 49 V 4.4146 7.4085 114.0471 60.4662 36.2278 171.7482 50 K 4.6092 8.6117 122.4219 55.2382 34.1387 175.2477 51 V 4.4398 8.3072 128.6711 61.7100 32.1524 175.8154 52 V 4.1753 8.2229 126.2279 62.4573 32.5099 174.7603 53 K 4.4212 7.1717 117.1600 56.5538 35.1491 173.6380 54 V 4.9802 8.3758 124.3703 61.5072 34.8960 173.7686 55 N 5.3226 8.4424 120.4812 52.1577 42.8494 173.6328 56 T 4.8302 8.2044 108.9336 60.8179 71.4899 173.3729 57 L 4.7100 8.3897 122.9555 54.9946 46.1414 173.9654 58 H 5.4699 8.0860 117.6928 58.6833 33.6458 173.3402 59 V 4.0627 8.2686 119.7756 61.1214 37.0113 177.0583 60 R 3.2756 9.0374 124.6575 58.4410 27.6541 175.4013 61 G 4.0251 8.1180 116.0161 44.6734 0.0000 171.6665 62 K 4.8476 8.0820 119.6464 55.1807 35.2190 175.7221 63 K 4.5446 8.1061 117.5618 55.6023 36.3936 175.7335 64 K 4.4450 8.4456 125.0491 55.1391 34.7765 176.3161 65 R 4.0347 8.7654 121.4466 57.6927 28.5378 175.4824 66 L 4.1298 9.3844 127.9716 55.5546 43.3054 174.1673 67 G 4.1554 7.1943 108.9942 43.8452 0.0000 174.3663 68 R 5.1111 8.8651 121.3174 56.2081 32.3080 173.4686 69 Y 3.2178 8.6144 115.5101 58.9294 35.5445 169.9401 70 L 4.4868 8.5158 125.9141 53.7272 44.9642 179.0003 71 G 3.9466 7.6438 108.7151 45.9852 0.0000 173.4101 72 K 4.6950 8.0872 126.2033 56.6035 31.9707 178.1958 73 R 4.6590 8.9870 110.0248 55.9579 29.2489 172.5909 74 P 3.9917 0.0000 0.0000 61.6103 31.8315 174.3422 75 D 5.0617 8.9101 122.3866 53.1779 43.2068 174.8371 76 R 4.5140 7.6505 115.5692 54.7437 32.9113 173.6072 77 K 5.1115 8.3821 126.8675 55.2697 36.0836 174.5381 78 K 3.8857 8.1215 121.8891 56.9089 33.1274 174.8896 79 A 4.7143 8.1938 125.6833 50.5174 20.1366 176.8060 80 I 3.7717 8.9027 123.6759 62.0824 39.1347 175.6960 81 V 3.7955 7.9156 121.0938 60.6114 31.6266 171.0004 82 Q 4.0398 8.8993 123.2786 55.9488 29.3516 176.8383 83 V 3.6929 9.4563 113.5280 64.3061 30.7438 174.2878 84 A 4.2675 9.1563 128.8529 52.0777 16.2198 178.2736 85 P 4.1472 0.0000 0.0000 65.3459 31.4800 175.8120 86 G 4.0061 7.4360 106.8445 45.0740 0.0000 172.6181 87 Q 4.5292 7.8450 122.9202 54.0287 32.3455 171.1036 88 K 3.7335 9.4099 123.2002 57.1560 32.0200 177.3495 89 I 3.5269 8.7257 121.2726 61.6455 35.6466 173.9195 90 E 4.2432 7.5222 120.5016 59.0824 29.2437 177.4448 91 A 4.1708 8.2603 122.0859 53.6163 19.2739 177.2199 92 L 4.2965 7.5022 117.1824 55.6321 41.6075 176.7755 93 E 3.9021 8.2886 124.8124 55.5892 28.1223 173.4394 94 G 3.1847 6.5256 112.4137 46.5806 0.0000 174.2284 *95 L 4.1219 7.3382 126.1515 53.6197 41.6291 178.8272 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 3 T 8.41 4.53 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 1.18 0.00 0.00 4 A 7.97 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.37 4.97 0.00 3.00 2.82 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 6 D 8.15 4.69 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.84 4.12 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 0.99 0.00 0.00 0.96 0.00 0.00 8 I 7.71 4.02 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.10 0.72 0.00 0.00 9 L 9.05 4.80 0.00 1.83 1.76 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.87 4.98 1.45 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 0.00 0.00 11 P 0.00 5.08 0.00 2.24 2.61 0.00 3.91 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 2.31 2.48 0.00 12 V 8.09 4.21 1.15 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 0.44 0.00 0.00 0.61 0.00 0.00 13 L 8.48 4.20 0.00 1.64 1.65 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.21 4.55 0.00 3.87 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 15 E 8.95 3.99 0.00 2.07 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 0.00 2.43 2.52 0.00 16 K 8.09 3.79 0.00 1.71 1.80 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.51 7.81 17 A 8.05 4.03 1.06 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 18 Y 7.58 3.50 0.00 2.92 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 0.00 0.00 0.00 0.00 19 A 8.72 4.10 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 20 G 8.29 3.73 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 0.00 0.00 0.00 21 F 9.41 3.91 0.00 2.97 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 22 A 7.50 4.19 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.68 4.43 0.00 1.89 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 0.00 2.20 2.25 0.00 24 G 9.51 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 3.78 0.00 1.56 1.63 0.00 1.47 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.18 1.14 7.81 26 Y 7.88 4.44 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 4.14 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 0.92 0.00 0.00 28 F 8.02 4.86 0.00 2.88 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 29 W 9.28 4.58 0.00 3.39 3.16 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 30 V 7.90 5.20 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 1.17 0.00 0.00 1.03 0.00 0.00 31 H 8.88 4.56 0.00 3.19 3.32 0.00 6.02 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 3.96 0.00 2.16 2.09 0.00 3.76 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 1.58 1.94 0.00 33 K 7.40 4.29 0.00 1.93 2.01 0.00 1.59 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.40 7.81 34 A 8.83 3.75 1.45 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 0.00 0.00 35 T 8.74 3.75 4.63 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 1.30 0.00 0.00 36 K 7.81 4.67 0.00 2.13 2.12 0.00 1.38 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.79 7.81 37 T 8.61 3.93 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 38 E 8.25 4.52 0.00 2.02 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 2.33 2.39 0.00 39 I 7.74 4.28 1.86 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 1.53 0.54 1.01 0.00 0.00 40 K 7.58 4.12 0.00 1.96 2.05 0.00 1.31 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 41 N 8.03 4.81 0.00 2.84 2.94 0.00 0.00 6.10 7.26 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 42 A 7.66 4.60 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 43 V 7.86 3.98 1.96 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 0.67 0.00 0.00 0.33 0.00 0.00 44 E 8.21 4.37 0.00 2.49 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 2.32 0.00 45 T 7.88 4.56 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 1.25 0.00 0.00 46 A 7.91 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.49 4.53 0.00 2.95 3.10 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 0.00 0.00 0.00 0.00 48 K 8.05 3.85 0.00 1.84 1.83 0.00 1.84 0.00 0.00 0.66 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.39 7.81 49 V 7.41 4.41 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 0.65 0.00 0.00 1.02 0.00 0.00 50 K 8.61 4.61 0.00 1.81 1.66 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.40 7.81 51 V 8.31 4.44 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 0.75 0.00 0.00 0.93 0.00 0.00 52 V 8.22 4.18 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 0.84 0.00 0.00 0.97 0.00 0.00 53 K 7.17 4.42 0.00 1.80 1.54 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.33 7.81 54 V 8.38 4.98 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 0.92 0.00 0.00 55 N 8.44 5.32 0.00 2.57 2.60 0.00 0.00 6.72 7.42 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 56 T 8.20 4.83 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 1.20 0.00 0.00 57 L 8.39 4.71 0.00 1.74 1.53 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.09 5.47 0.00 3.14 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.27 4.06 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 0.78 0.00 0.00 1.21 0.00 0.00 60 R 9.04 3.28 0.00 2.12 2.08 0.00 3.22 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 61 G 8.12 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.08 4.85 0.00 1.53 1.63 0.00 1.63 0.00 0.00 1.45 0.00 0.00 2.42 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.94 1.24 7.81 63 K 8.11 4.54 0.00 1.67 1.64 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.41 7.81 64 K 8.45 4.45 0.00 1.75 1.71 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.42 7.81 65 R 8.77 4.03 0.00 1.91 2.26 0.00 3.47 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 66 L 9.38 4.13 0.00 1.84 1.84 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.19 4.16 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 0.00 68 R 8.87 5.11 0.00 1.88 1.79 0.00 3.00 0.00 0.00 3.90 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.68 0.00 69 Y 8.61 3.22 0.00 3.03 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 70 L 8.52 4.49 0.00 1.44 1.84 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.64 3.95 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 0.00 0.00 0.00 72 K 8.09 4.70 0.00 1.82 0.87 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.38 7.81 73 R 8.99 4.66 0.00 1.96 2.02 0.00 3.09 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 74 P 0.00 3.99 0.00 2.38 2.11 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.63 0.00 75 D 8.91 5.06 0.00 2.73 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 76 R 7.65 4.51 0.00 1.77 2.27 0.00 2.92 0.00 0.00 2.94 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.65 0.00 77 K 8.38 5.11 0.00 1.66 1.95 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.10 0.85 7.81 78 K 8.12 3.89 0.00 1.71 1.76 0.00 1.46 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.26 7.81 79 A 8.19 4.71 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 80 I 8.90 3.77 1.83 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 1.25 1.29 0.97 0.00 0.00 81 V 7.92 3.80 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 0.70 0.00 0.00 0.90 0.00 0.00 82 Q 8.90 4.04 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.13 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 83 V 9.46 3.69 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 0.70 0.00 0.00 0.93 0.00 0.00 84 A 9.16 4.27 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.15 0.00 2.06 2.18 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 86 G 7.44 4.01 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 87 Q 7.85 4.53 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.03 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 88 K 9.41 3.73 0.00 2.23 2.02 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.58 7.81 89 I 8.73 3.53 2.13 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.42 1.10 0.00 0.00 90 E 7.52 4.24 0.00 2.15 1.87 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 2.51 2.68 0.00 91 A 8.26 4.17 1.30 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 0.00 0.00 0.00 92 L 7.50 4.30 0.00 1.82 1.67 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.29 3.90 0.00 1.99 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 0.00 2.26 2.03 0.00 94 G 6.53 3.18 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 0.00 0.00 0.00 0.00 0.00 0.00 *95 L 7.34 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.