NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 H 4.6359 8.4449 120.3934 57.2541 30.5299 172.4731 16 M 3.0121 8.5821 126.3372 54.8786 29.0637 177.6676 17 S 4.3080 8.3129 117.7668 61.2780 63.5528 175.7440 18 G 3.4936 7.9408 108.4106 47.8248 0.0000 175.0307 19 L 4.5499 8.0022 123.2604 57.5776 42.1147 178.7846 20 K 4.2697 8.3129 119.6219 59.2225 31.8647 178.8348 21 K 3.8251 7.5902 117.7645 59.0110 31.9402 178.3137 22 F 4.6962 7.7717 115.8547 57.8336 40.3298 175.9916 23 F 4.9294 8.1668 117.9453 54.8317 39.3090 173.4946 24 P 4.0968 0.0000 0.0000 64.7544 31.6402 177.9062 25 Y 4.9830 7.5776 113.9191 57.4753 38.5627 175.1615 26 S 4.7795 7.9682 114.0753 57.3846 67.1045 174.0277 27 T 4.4517 8.5627 112.5139 61.6932 70.3822 173.6316 28 N 5.2855 7.9193 117.5549 51.3959 42.4158 173.9255 29 V 4.5924 8.6185 113.8671 59.2848 36.2269 175.2992 30 L 4.6794 9.0407 122.2741 55.2026 43.2058 176.8499 31 K 4.2135 9.6188 122.7063 57.1087 33.2726 175.5002 32 G 3.8937 9.9403 113.8836 44.7562 0.0000 172.3487 33 A 4.3196 8.3784 121.8983 53.3946 20.9513 178.4140 34 A 4.3578 7.6577 118.8862 51.9524 19.2612 177.5536 35 A 5.0065 8.4534 123.1404 52.3098 19.6447 176.7892 36 D 4.8712 8.0895 116.8334 54.1306 40.6021 175.5703 37 I 3.8023 7.5038 121.4424 60.9127 38.4594 174.6311 38 A 4.9030 8.4528 130.8462 51.2411 19.9925 177.4332 39 L 3.9433 8.2781 123.3634 57.8663 41.9154 178.5808 40 P 4.5179 0.0000 0.0000 65.1230 31.0252 178.0070 41 S 4.4441 8.2091 111.8454 59.8181 63.2736 175.0863 42 L 4.4495 8.1971 122.8671 53.5582 41.8236 175.8994 43 A 4.3315 7.2168 122.4814 53.9846 18.6662 178.8483 44 G 4.0249 9.5948 110.0394 45.5680 0.0000 174.0110 45 K 4.6952 7.7969 119.1935 55.7859 34.5551 175.6684 46 T 4.7192 8.5960 118.2713 62.5509 70.4030 174.3710 47 V 4.8168 8.4596 125.4451 61.0498 34.8462 173.9510 48 F 4.9308 9.1340 126.3664 55.6563 41.5799 174.4777 49 F 5.0921 8.7140 123.4765 56.7392 40.5370 174.1802 50 Y 5.1511 9.2914 126.7471 56.0673 40.3537 174.3815 51 F 4.9542 9.2310 127.6227 56.1192 40.2763 175.2657 52 S 4.3726 7.9798 116.6220 57.6898 65.8929 172.4777 53 A 4.6588 7.5300 122.1896 50.5542 21.5060 177.7932 54 S 3.1593 8.5751 115.8102 60.5341 63.1052 175.6278 55 W 4.3644 7.5735 115.2607 56.9797 28.5639 175.6623 56 C 4.4947 7.0767 121.2303 57.4505 31.9557 171.7678 57 P 4.2499 0.0000 0.0000 65.4546 31.1324 176.8778 58 P 4.3389 0.0000 0.0000 65.7015 31.2365 178.4407 59 C 4.3353 8.0112 115.2169 62.9154 27.8776 175.9449 60 R 4.1025 7.8830 119.0534 59.3879 29.7225 178.1400 61 A 4.1919 7.9347 119.9401 54.8421 18.6340 178.9408 62 F 4.5967 8.9489 119.4865 61.1358 39.4433 177.6249 63 T 3.8153 8.6347 116.3181 66.2676 68.4400 174.5250 64 P 4.1803 0.0000 0.0000 65.8317 31.2173 178.4481 65 Q 3.8792 7.7631 117.2340 58.7634 28.6760 178.1872 66 L 3.7377 7.1913 121.3611 58.2295 41.8624 179.1127 67 I 3.9730 8.0559 120.0768 64.3840 36.9757 178.2151 68 D 4.3541 8.1462 119.7602 57.2886 40.6485 178.4610 69 F 4.0477 8.4327 121.2243 61.3513 39.3847 176.5732 70 Y 4.4077 8.7034 119.4355 60.9909 38.5500 178.0957 71 K 3.8661 8.3464 117.9097 59.3146 32.1432 178.9291 72 A 3.9648 7.8117 120.3247 54.5637 18.6894 178.4312 73 H 4.5865 7.9052 112.1276 55.3390 30.5422 176.0735 74 A 2.5800 7.2663 123.3290 54.7658 17.7674 179.5772 75 E 3.6751 7.4955 115.5472 59.5820 30.0558 179.5724 76 S 3.9796 7.8829 111.4539 61.3812 62.4252 174.9845 77 K 4.0321 8.3310 116.2895 55.9316 32.6674 176.2649 78 N 4.1153 7.6653 118.1442 54.4579 37.2888 171.9218 79 F 5.7608 8.0215 112.7400 55.5112 42.2838 175.0384 80 E 5.1899 9.7742 119.6196 54.6417 33.9093 174.0556 81 V 4.9528 9.2317 122.4470 61.1797 34.8450 173.8595 82 M 5.2834 9.4894 127.5089 53.3671 35.3087 174.1748 83 L 4.5293 9.1326 129.4823 55.4513 43.8491 175.6217 84 I 4.7154 8.6976 127.6110 59.4926 39.4047 174.4100 85 S 5.0267 8.9254 122.6092 57.4307 63.1863 173.5514 86 W 5.3114 8.9112 126.6826 56.9439 29.5504 176.5171 87 D 5.0334 9.1164 120.4678 54.8826 40.7499 176.3330 88 E 4.8157 8.9774 119.2737 56.6681 30.8317 176.8309 89 S 4.7502 7.6435 113.3345 55.5021 67.6251 174.5542 90 A 2.8013 8.1512 124.6787 54.7094 18.0825 179.9859 91 E 3.8545 7.8861 117.4820 59.5769 29.9342 178.3110 92 D 4.4046 8.4313 119.3719 57.4447 40.9430 178.5653 93 F 4.2959 8.0856 120.8767 61.3542 39.3502 176.9264 94 K 4.0093 8.3133 118.9908 59.8155 31.7645 178.4731 95 D 4.3302 7.9245 117.7430 57.4477 40.9646 177.7978 96 Y 4.3543 8.4846 120.4632 61.0386 38.9084 177.5419 97 Y 3.9686 8.3735 120.1889 60.0436 38.5417 177.3825 98 A 3.7103 7.3986 120.7365 54.5808 18.4773 178.7863 99 K 3.9901 7.2878 114.2887 56.5190 32.5791 176.6584 100 M 4.0220 6.5410 119.0642 52.5293 34.4679 174.0885 101 P 4.3038 0.0000 0.0000 62.8598 32.7268 176.1260 102 W 4.8286 6.1896 117.3561 55.7802 30.0306 175.0539 103 L 5.0563 8.6733 118.1590 54.7580 43.6908 175.4957 104 A 5.0823 8.4976 119.9056 50.5144 22.8961 175.2648 105 L 4.5281 8.5938 123.5187 53.7135 43.0971 175.1975 106 P 4.2605 0.0000 0.0000 62.8153 32.0224 176.7896 107 F 3.5567 8.1216 124.4943 61.0342 39.1969 176.3020 108 E 3.8801 8.0983 116.8218 58.9682 30.1281 177.5848 109 D 4.6022 7.6453 121.3391 53.2092 37.6955 176.7466 110 R 3.8073 7.3874 122.8811 59.1322 30.6918 178.9014 111 K 4.2516 8.0369 117.9586 59.1380 32.0990 179.5219 112 G 3.7568 8.7423 106.5430 47.7330 0.0000 175.6380 113 M 4.1603 7.9822 120.1097 58.7091 32.2514 178.2051 114 E 4.0747 8.7029 119.2329 59.3330 29.5181 179.1386 115 F 4.2347 8.6327 120.9109 61.3525 39.5323 177.2826 116 L 3.8606 8.1869 118.6730 57.9114 41.3651 179.4901 117 T 3.9986 8.6307 116.1965 67.1040 68.4840 176.8784 118 T 3.9749 8.3550 117.9985 66.4328 68.3018 176.9641 119 G 3.3776 7.7952 106.8830 47.4985 0.0000 174.7003 120 F 4.6215 7.6277 116.2515 55.8100 39.8831 175.0895 121 D 4.1951 7.8927 116.9384 55.1400 39.5829 175.0580 122 V 3.8058 7.9716 119.2922 62.1443 31.0022 175.2189 123 K 4.4169 8.5571 127.8397 58.0534 32.6712 177.0711 124 S 4.9126 7.6906 110.9934 56.9835 65.7811 172.8259 125 I 4.3756 7.7287 113.6576 57.8628 40.0596 173.3133 126 P 4.5967 0.0000 0.0000 63.1251 32.4326 175.6236 127 T 4.5812 8.5545 117.8047 61.7159 73.1817 172.6226 128 L 5.3006 8.4541 126.6294 53.4613 45.2394 174.7831 129 V 4.6673 9.0690 127.3994 61.0343 33.9807 174.3116 130 G 3.6907 9.0364 115.7009 44.5567 0.0000 172.9620 131 V 4.8959 8.0144 117.4005 59.4196 36.6449 174.3374 132 E 4.5974 8.9200 122.4115 55.1266 30.2775 177.1904 133 A 4.0740 8.6428 128.6831 55.6034 18.8375 178.4450 134 D 4.5442 8.2574 114.0054 57.6237 40.9899 178.2837 135 S 4.2044 8.0806 111.5725 59.0179 63.5675 175.2609 136 G 4.0661 8.6283 108.2679 45.6972 0.0000 173.1986 137 N 4.7833 8.1143 117.2285 53.0263 39.9984 174.1040 138 I 4.5426 8.3188 121.7032 60.7992 38.6275 175.4525 139 I 4.1744 8.6605 127.6111 62.9180 38.7466 175.5583 140 T 4.7154 7.4017 113.4664 61.6585 70.3107 173.2901 141 T 4.3567 9.9177 117.2837 61.6628 68.5719 174.8572 142 Q 4.5085 7.8920 121.7297 55.5038 29.8009 177.3246 143 A 3.8061 7.9295 121.1954 54.1294 17.1232 179.4556 144 R 3.3700 7.6220 117.4564 59.8536 30.0445 178.5021 145 T 3.8046 7.4138 114.7127 66.9105 68.4317 176.3967 146 M 3.6348 6.7207 117.0838 57.5802 31.4019 178.8763 147 V 3.0660 6.7684 118.2963 65.3080 31.6098 177.7327 148 V 4.0227 6.8375 115.4858 64.0498 31.9834 178.2681 149 K 4.1505 7.8879 118.2902 57.8037 33.4064 176.8634 150 D 5.1245 8.4468 117.9175 52.2795 40.9513 174.6197 151 P 5.0125 0.0000 0.0000 65.3106 32.0475 177.6977 152 E 4.2201 8.3450 116.4878 55.8647 29.8195 175.6352 153 A 4.2339 8.7916 121.8962 53.2587 16.5318 180.2134 154 K 4.1238 8.8575 121.2610 60.3987 32.6624 178.2032 155 D 4.8843 9.1185 117.1898 53.6646 41.1939 175.8562 156 F 2.7220 7.2734 120.8815 57.6025 39.5708 172.7675 157 P 2.9700 0.0000 0.0000 61.5840 31.8458 175.9001 158 W 3.6096 7.4514 115.4617 57.8195 26.3681 173.1988 159 P 4.4283 0.0000 0.0000 63.9871 32.4224 176.4818 160 N 4.3274 8.8251 118.4457 53.6881 37.7607 175.8859 161 V 3.6845 7.5792 118.7046 65.8086 32.6626 177.1648 162 E 4.2299 8.6382 118.3065 58.2998 29.5259 178.9613 163 A 4.0514 7.9171 123.6736 55.5826 18.7084 179.1402 164 K 4.1556 8.0365 121.2927 53.7486 30.1784 180.2086 *165 K 4.1936 7.8785 125.6179 54.5570 32.3269 176.7873 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 15 H 8.44 4.64 0.00 3.11 3.36 0.00 5.98 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 M 8.58 3.01 0.00 2.35 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.16 0.00 17 S 8.31 4.31 0.00 4.03 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 18 G 7.94 3.49 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 0.00 0.00 0.00 19 L 8.00 4.55 0.00 2.16 1.87 1.36 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.31 4.27 0.00 2.17 1.82 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.63 7.81 21 K 7.59 3.83 0.00 1.42 1.57 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.47 7.81 22 F 7.77 4.70 0.00 2.72 2.39 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 23 F 8.17 4.93 0.00 3.10 3.07 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 0.00 0.00 0.00 0.00 24 P 0.00 4.10 0.00 0.82 1.38 0.00 3.51 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.60 0.00 25 Y 7.58 4.98 0.00 3.31 2.84 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 26 S 7.97 4.78 0.00 3.97 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 27 T 8.56 4.45 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 1.24 0.00 0.00 28 N 7.92 5.29 0.00 2.59 2.80 0.00 0.00 6.71 7.68 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 29 V 8.62 4.59 2.29 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 0.61 0.00 0.00 0.93 0.00 0.00 30 L 9.04 4.68 0.00 1.62 1.82 1.17 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.62 4.21 0.00 1.84 1.72 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.51 7.81 32 G 9.94 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 33 A 8.38 4.32 1.29 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 34 A 7.66 4.36 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 35 A 8.45 5.01 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 36 D 8.09 4.87 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.50 3.80 1.93 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 1.27 1.87 1.01 0.00 0.00 38 A 8.45 4.90 1.28 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 0.00 0.00 0.00 39 L 8.28 3.94 0.00 1.66 1.79 0.79 0.41 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 40 P 0.00 4.52 0.00 2.21 2.22 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 41 S 8.21 4.44 0.00 4.05 4.02 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 42 L 8.20 4.45 0.00 1.82 1.79 1.01 0.73 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 43 A 7.22 4.33 1.32 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 0.00 0.00 44 G 9.59 4.02 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 0.00 0.00 0.00 45 K 7.80 4.70 0.00 1.93 1.84 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.65 1.55 7.81 46 T 8.60 4.72 4.50 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 0.72 0.00 0.00 47 V 8.46 4.82 1.81 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 0.91 0.00 0.00 0.96 0.00 0.00 48 F 9.13 4.93 0.00 3.06 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 49 F 8.71 5.09 0.00 2.82 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.29 5.15 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 51 F 9.23 4.95 0.00 2.62 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 0.00 0.00 0.00 52 S 7.98 4.37 0.00 2.72 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 53 A 7.53 4.66 0.40 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 54 S 8.58 3.16 0.00 3.79 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.57 4.36 0.00 3.48 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.08 4.49 0.00 1.91 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 57 P 0.00 4.25 0.00 2.24 2.13 0.00 3.75 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 58 P 0.00 4.34 0.00 2.14 2.10 0.00 3.54 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 59 C 8.01 4.34 0.00 3.03 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 60 R 7.88 4.10 0.00 1.87 2.19 0.00 3.30 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 61 A 7.93 4.19 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.95 4.60 0.00 3.10 3.24 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 63 T 8.63 3.82 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 1.27 0.00 0.00 64 P 0.00 4.18 0.00 2.23 2.28 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 65 Q 7.76 3.88 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 66 L 7.19 3.74 0.00 0.63 1.38 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.06 3.97 1.99 0.00 0.00 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 0.98 0.59 0.84 0.00 0.00 68 D 8.15 4.35 0.00 2.93 2.74 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 69 F 8.43 4.05 0.00 3.17 3.25 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 70 Y 8.70 4.41 0.00 3.58 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 3.87 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.76 7.81 72 A 7.81 3.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.91 4.59 0.00 3.06 3.04 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.27 2.58 0.18 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 75 E 7.50 3.68 0.00 1.86 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 2.24 2.07 0.00 76 S 7.88 3.98 0.00 3.72 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.33 4.03 0.00 1.69 1.20 0.00 1.68 0.00 0.00 1.48 0.00 0.00 2.74 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.18 0.86 7.81 78 N 7.67 4.12 0.00 2.88 2.82 0.00 0.00 6.64 7.58 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 79 F 8.02 5.76 0.00 3.50 3.40 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 80 E 9.77 5.19 0.00 2.22 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 0.00 2.36 2.48 0.00 81 V 9.23 4.95 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 -0.71 0.00 0.00 1.02 0.00 0.00 82 M 9.49 5.28 0.00 2.40 2.08 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 83 L 9.13 4.53 0.00 2.19 1.64 1.08 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.70 4.72 0.99 0.00 0.00 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 0.95 0.28 0.79 0.00 0.00 85 S 8.93 5.03 0.00 4.42 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 0.00 86 W 8.91 5.31 0.00 3.19 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.12 5.03 0.00 3.06 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.98 4.82 0.00 2.04 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 2.16 0.00 89 S 7.64 4.75 0.00 3.96 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 90 A 8.15 2.80 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 91 E 7.89 3.85 0.00 2.08 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 2.39 2.47 0.00 92 D 8.43 4.40 0.00 2.88 2.80 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 93 F 8.09 4.30 0.00 3.01 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 94 K 8.31 4.01 0.00 2.15 2.04 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.61 7.81 95 D 7.92 4.33 0.00 2.77 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 96 Y 8.48 4.35 0.00 3.02 3.11 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 97 Y 8.37 3.97 0.00 2.30 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.40 3.71 1.28 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 0.00 0.00 0.00 99 K 7.29 3.99 0.00 1.54 1.65 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.50 7.81 100 M 6.54 4.02 0.00 0.51 1.37 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 101 P 0.00 4.30 0.00 2.15 1.95 0.00 2.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.61 0.00 102 W 6.19 4.83 0.00 3.63 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 0.00 103 L 8.67 5.06 0.00 1.92 1.88 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.50 5.08 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.59 4.53 0.00 1.83 1.69 1.21 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.26 0.00 2.21 2.10 0.00 3.70 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 2.14 2.14 0.00 107 F 8.12 3.56 0.00 1.51 2.62 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 0.00 108 E 8.10 3.88 0.00 2.07 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 0.00 2.26 2.26 0.00 109 D 7.65 4.60 0.00 2.79 2.74 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 0.00 110 R 7.39 3.81 0.00 1.72 1.83 0.00 2.66 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 111 K 8.04 4.25 0.00 1.71 1.95 0.00 1.33 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.40 7.81 112 G 8.74 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 M 7.98 4.16 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 3.05 0.00 114 E 8.70 4.07 0.00 2.23 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 2.47 2.46 0.00 115 F 8.63 4.23 0.00 3.15 3.22 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 0.00 116 L 8.19 3.86 0.00 2.03 1.96 0.36 0.55 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 0.00 117 T 8.63 4.00 4.60 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 1.46 0.00 0.00 118 T 8.36 3.97 4.18 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 1.17 0.00 0.00 119 G 7.80 3.38 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 0.00 120 F 7.63 4.62 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.89 4.20 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.97 3.81 1.92 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 0.42 0.00 0.00 0.07 0.00 0.00 123 K 8.56 4.42 0.00 1.83 1.91 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.31 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.38 7.81 124 S 7.69 4.91 0.00 3.97 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 0.00 125 I 7.73 4.38 1.46 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.43 -0.39 0.00 0.00 126 P 0.00 4.60 0.00 2.15 2.22 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.01 0.00 127 T 8.55 4.58 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 1.04 0.00 0.00 128 L 8.45 5.30 0.00 1.73 1.47 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 129 V 9.07 4.67 1.90 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 0.12 0.00 0.00 0.65 0.00 0.00 130 G 9.04 3.69 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 0.00 0.00 0.00 131 V 8.01 4.90 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.61 0.00 0.00 132 E 8.92 4.60 0.00 1.92 1.88 0.00 0.00 0.00 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 2.19 0.00 133 A 8.64 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.26 4.54 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.08 4.20 0.00 4.00 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 0.00 136 G 8.63 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.11 4.78 0.00 2.80 2.78 0.00 0.00 6.95 6.91 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 0.00 138 I 8.32 4.54 1.99 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.14 1.08 0.00 0.00 139 I 8.66 4.17 1.81 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.88 0.85 0.00 0.00 140 T 7.40 4.72 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 1.33 0.00 0.00 141 T 9.92 4.36 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 1.21 0.00 0.00 142 Q 7.89 4.51 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.17 2.42 0.00 143 A 7.93 3.81 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.62 3.37 0.00 1.48 1.56 0.00 2.87 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 145 T 7.41 3.80 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 146 M 6.72 3.63 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.29 0.00 147 V 6.77 3.07 2.13 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 0.69 0.00 0.00 0.29 0.00 0.00 148 V 6.84 4.02 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 0.83 0.00 0.00 0.96 0.00 0.00 149 K 7.89 4.15 0.00 1.64 1.88 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.35 7.81 150 D 8.45 5.12 0.00 2.86 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 0.00 151 P 0.00 5.01 0.00 2.33 2.32 0.00 4.00 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 2.08 2.07 0.00 152 E 8.35 4.22 0.00 2.04 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 2.27 0.00 153 A 8.79 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 K 8.86 4.12 0.00 1.93 1.93 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.52 7.81 155 D 9.12 4.88 0.00 2.95 2.80 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 0.00 156 F 7.27 2.72 0.00 2.49 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 2.97 0.00 1.58 0.71 0.00 3.70 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 158 W 7.45 3.61 0.00 3.61 3.07 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 0.00 0.00 0.00 0.00 159 P 0.00 4.43 0.00 2.17 2.02 0.00 3.92 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 160 N 8.83 4.33 0.00 2.99 2.85 0.00 0.00 6.72 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 V 7.58 3.68 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 1.01 0.00 0.00 1.01 0.00 0.00 162 E 8.64 4.23 0.00 2.29 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 2.40 2.34 0.00 163 A 7.92 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 K 8.04 4.16 0.00 1.77 1.64 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.25 7.81 *165 K 7.88 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.