NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5531 8.3649 120.2890 52.9166 41.5602 175.7956 6 F 4.4223 7.8961 117.5716 56.5157 38.9494 170.6820 7 E 3.3017 8.3680 119.7136 56.2269 30.7802 174.2121 8 E 4.2039 8.6372 124.1824 55.4740 31.3694 173.9345 9 K 4.2963 7.7482 123.9711 56.3216 36.0430 173.6982 10 M 4.7988 8.6150 123.2322 54.4998 33.2181 175.7106 11 I 4.1743 8.6595 121.0806 62.5475 38.4990 176.2241 12 L 4.8286 7.5914 120.9492 53.1077 45.5336 175.0491 13 I 4.8368 8.5325 126.0035 59.6561 39.5287 174.7929 14 R 4.7639 9.5989 124.7110 54.2987 33.0685 175.0793 15 R 4.8677 8.4837 120.1194 54.5305 31.2903 176.5097 16 T 4.3711 8.1909 119.8671 62.5347 70.5206 173.0514 17 A 4.2278 7.9965 122.2162 52.1277 23.0903 175.8873 18 R 4.5705 7.9080 114.8375 55.2979 33.7362 173.8338 19 M 4.7929 8.4595 118.8802 53.6147 34.2700 175.4790 20 Q 4.3629 8.3582 123.1089 53.5206 32.3251 174.3275 21 A 4.2039 8.5163 127.6962 53.1738 19.2651 176.6902 22 G 4.3058 9.1155 110.8695 44.0776 0.0000 174.0349 23 G 3.9046 6.7905 106.1452 44.8520 0.0000 171.6069 24 R 4.4820 8.2466 115.6216 56.1400 30.7109 176.4717 25 R 4.7176 8.2645 119.1178 55.0785 34.5057 175.3620 26 F 4.6779 9.0731 122.8079 58.7271 41.4854 174.4933 27 R 4.5718 7.4390 119.2326 56.9734 32.6493 174.1280 28 F 5.1593 9.3269 125.1161 55.8265 42.3198 174.8328 29 G 4.5791 9.4226 108.4127 44.6414 0.0000 172.3236 30 A 4.9285 9.0234 128.2890 50.4810 22.6193 175.6124 31 L 4.6373 8.2251 120.5031 54.1777 44.5026 174.3556 32 V 4.6654 9.0343 127.1846 60.9595 34.1274 174.6642 33 V 5.2936 8.2617 126.3314 60.3662 33.8993 174.9346 34 V 4.1780 8.4274 128.1456 62.5503 33.6657 174.5318 35 G 4.1323 8.2213 107.7655 45.6451 0.0000 173.7014 36 D 4.6159 8.1704 120.8387 51.8526 40.9577 176.3585 37 R 4.0574 7.5265 117.6165 56.9010 27.8401 176.7573 38 Q 4.5444 8.5469 112.5156 55.8749 34.3109 175.6006 39 G 4.1071 7.3504 117.3832 45.8906 0.0000 172.2497 40 R 4.7866 7.6806 118.9253 53.3517 33.1852 174.5266 41 V 4.4868 8.1712 116.4066 59.5773 36.4582 174.8761 42 G 4.6048 8.4410 107.5422 44.5117 0.0000 170.9336 43 L 5.2712 8.5388 121.9854 53.0011 44.2861 175.7028 44 G 4.3789 9.7581 113.6551 44.3420 0.0000 171.0090 45 F 5.1870 9.0571 125.8108 56.0088 41.8927 174.4150 46 G 4.0748 8.1289 113.3502 44.4961 0.0000 171.6237 47 K 5.3769 8.7846 126.0488 54.8479 33.4922 176.0381 48 A 4.8515 9.9190 126.8832 49.8636 22.9053 175.1381 49 P 4.6278 0.0000 0.0000 64.1785 31.7243 176.7718 50 E 4.2302 7.7771 117.8197 53.2484 33.7789 175.1064 51 V 3.2178 7.3273 123.9175 65.8362 31.5375 176.1881 52 P 4.1023 0.0000 0.0000 65.7822 31.1843 178.1015 53 L 3.8959 7.8875 116.4046 58.2234 41.6726 179.5188 54 A 4.1650 8.2126 120.4059 55.3309 18.0018 179.4894 55 V 3.4590 7.5452 116.0799 66.1685 31.9227 177.6194 56 Q 4.0634 8.2656 118.8838 59.2846 29.1673 178.4152 57 K 3.9899 8.6312 120.5929 59.8009 32.2005 178.1147 58 A 4.3678 8.2831 120.9413 55.3339 18.3482 179.8546 59 G 3.7209 8.7325 104.4586 48.6535 0.0000 174.1024 60 Y 4.4080 7.9555 121.3728 59.6323 38.9070 176.7464 61 Y 4.0730 7.8676 117.0078 61.7367 38.2575 178.1436 62 A 4.0665 8.5774 121.5262 55.8772 18.2070 179.1048 63 R 4.1342 7.9995 112.9713 57.2248 30.2576 178.1393 64 R 4.2925 7.6899 118.5890 55.8856 30.7991 175.5386 65 N 4.9650 8.0687 117.2489 53.3149 43.1622 171.3089 66 M 4.6504 7.8762 128.4600 53.9739 35.0698 174.8576 67 V 4.2827 7.9180 122.5281 61.2690 34.9018 172.8924 68 E 4.5790 8.3946 121.9855 55.2178 27.4187 177.2639 69 V 3.4561 7.6763 120.0355 63.6159 33.1068 174.8599 70 P 4.7731 0.0000 0.0000 62.5916 29.2884 176.4390 71 L 4.5874 7.5667 123.7355 52.5862 40.2800 177.0826 72 Q 3.9512 7.7884 117.4709 56.2501 27.2313 173.0249 73 N 3.8315 9.1620 121.6532 53.8835 37.5226 174.1351 74 G 4.0944 8.5422 116.1771 47.2387 0.0000 171.1076 75 T 4.5639 7.1924 115.8638 60.3024 69.1313 172.5902 76 I 4.5253 7.9514 118.9398 58.2943 40.6153 173.9804 77 P 4.2518 0.0000 0.0000 65.7531 31.0230 176.1867 78 H 5.0363 7.7853 112.8121 52.5138 31.9350 171.9592 79 E 4.8018 8.5205 118.6408 55.9572 30.1701 176.4391 80 I 4.7411 8.7554 115.9777 59.5014 41.5284 173.5634 81 E 5.0759 8.7427 122.5822 54.8055 32.9304 175.3987 82 V 4.4954 9.0352 123.1834 61.2616 35.2297 173.5902 83 E 5.1121 8.9494 126.8852 54.6778 31.5356 175.2994 84 F 4.4174 9.5252 127.3301 56.5389 40.4841 174.8904 85 G 3.9654 8.3269 117.9281 45.0951 0.0000 171.8661 86 A 4.7110 8.0739 122.6389 51.3625 22.7715 177.7558 87 S 4.7866 8.7370 112.2025 57.9657 64.0697 173.5009 88 K 5.1396 8.3672 122.3946 55.1767 36.0186 174.5627 89 I 4.9876 9.1020 126.6051 59.5816 41.8825 173.7736 90 V 4.8941 8.3847 121.9915 59.6024 34.4896 174.7745 91 L 4.8305 9.7586 125.0238 53.0270 44.8014 175.4443 92 K 4.9189 9.1140 124.6084 53.6242 34.7298 174.1227 93 P 4.6738 0.0000 0.0000 62.7579 31.9586 175.6757 94 A 4.7834 8.1722 125.6053 50.0638 21.1074 176.6003 95 A 4.2363 8.3195 121.8173 50.8956 19.4503 175.8821 96 P 5.1614 0.0000 0.0000 63.3704 32.0185 175.8203 97 G 4.0902 9.0082 108.6029 46.1819 0.0000 174.3230 98 T 3.6856 6.5352 114.3473 63.8768 70.1659 175.4511 99 G 4.0660 7.2912 109.8508 44.1084 0.0000 175.8715 100 V 4.5971 8.2335 128.4170 61.4530 34.2593 173.1273 101 I 4.5215 8.6057 122.2364 59.0150 38.4349 174.1264 102 A 5.3851 7.6695 128.7741 49.1143 22.2386 178.6215 103 G 3.9812 8.7619 106.7128 45.1815 0.0000 173.8021 104 A 4.1725 8.0693 122.4840 52.5289 18.3386 179.2315 105 V 3.4634 7.7008 118.1734 65.2237 32.4502 176.3108 106 P 4.2804 0.0000 0.0000 65.8467 30.9492 177.7922 107 R 3.9429 7.9801 118.3707 58.8955 29.8695 177.9608 108 A 3.9164 7.7608 119.0485 54.8818 18.4197 178.7896 109 I 4.1339 8.3678 118.3944 63.3464 38.2735 177.8371 110 L 4.0687 7.7195 119.1902 57.8265 41.5243 178.8661 111 E 4.0946 8.4508 118.5007 59.9957 29.5920 179.9424 112 L 4.0122 7.9343 117.6769 57.5123 41.5370 178.8766 113 A 4.1744 8.3367 120.1423 53.3639 18.3185 178.2430 114 G 3.8845 7.7731 105.6094 44.8421 0.0000 174.0372 115 V 4.0159 7.2824 119.1049 62.9599 32.1919 175.4788 116 T 4.4858 9.0634 122.6944 64.2636 71.0746 174.0154 117 D 5.5998 7.9017 120.5915 51.6398 44.1671 174.7541 118 I 4.8141 8.1382 122.6407 59.4187 42.4097 173.4790 119 L 5.0407 9.4699 126.7373 53.2963 44.9082 175.7824 120 T 5.5741 8.1845 113.2197 58.9826 72.9457 172.5685 121 K 4.4933 8.1241 118.3777 55.8360 35.5557 173.7796 122 E 4.8267 8.8144 127.1748 54.4536 29.3807 175.9993 123 L 4.2529 8.2030 129.5987 54.8733 44.3040 176.7636 124 G 3.6674 8.7134 110.3115 47.6302 0.0000 172.2493 125 S 4.3143 8.3029 114.8360 58.2201 62.9787 176.0458 126 R 4.1604 8.5099 125.2077 56.8804 30.3313 176.0302 127 N 4.0329 7.7595 115.8935 53.7641 39.0833 172.9657 128 P 4.3380 0.0000 0.0000 66.0285 32.8469 177.8469 129 I 3.8004 8.0214 113.7679 62.0552 36.7205 180.4834 130 N 3.1400 8.0820 126.5875 56.0716 39.2872 176.0452 131 I 3.6231 7.1632 117.4893 65.2549 37.0912 176.8790 132 A 4.1978 10.6000 122.0486 53.4877 17.7275 178.4106 133 Y 4.3268 7.7435 115.4304 59.9878 38.3358 179.2128 134 A 4.0620 8.1266 122.2865 55.3786 18.7272 179.7289 135 T 3.7889 7.7332 114.1723 67.1558 68.5798 176.6990 136 M 4.0301 8.5754 120.8694 58.5675 31.7357 178.3256 137 E 4.1074 7.7298 117.5728 58.3642 29.8283 178.4416 138 A 4.1209 7.8607 121.1775 55.2049 18.6472 179.2816 139 L 3.9458 7.7990 117.3837 57.8059 42.1319 179.5990 140 R 4.3981 7.8232 118.4317 55.2975 28.8668 175.6418 141 Q 5.0629 7.0258 117.6996 56.0407 32.7666 172.4868 142 L 4.7649 7.9235 116.2357 53.2733 42.8683 176.3690 143 R 4.7347 8.2394 120.1590 53.9904 34.2142 174.9324 144 T 4.6468 8.0922 109.4771 59.4756 72.7352 174.8700 145 K 3.5663 8.6457 122.0365 60.6984 31.8784 177.3086 146 A 3.9896 8.3765 119.5238 54.5708 17.7659 178.4436 147 D 4.3769 7.7003 119.3924 57.1292 41.6294 179.5649 148 V 3.6713 8.7487 119.7385 65.9418 31.2377 177.5931 149 E 3.8901 9.0883 118.8978 59.7297 29.3248 179.6478 150 R 3.6165 7.4110 117.3540 59.0529 30.2216 177.2308 151 L 4.4614 7.5583 116.2749 54.6706 43.5898 176.8445 152 R 4.6555 8.7364 118.7595 54.7662 30.0521 174.9515 153 K 3.9047 8.1549 117.9728 55.5600 32.4526 177.1753 154 G 3.6972 8.5914 124.5059 46.6936 0.0000 173.3539 *155 E 4.1319 7.7059 120.3406 55.8973 30.4399 177.7473 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 5 D 8.36 4.55 0.00 2.73 2.71 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 0.00 0.00 0.00 0.00 6 F 7.90 4.42 0.00 3.15 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 7 E 8.37 3.30 0.00 2.03 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 2.35 2.36 0.00 8 E 8.64 4.20 0.00 2.22 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 2.19 2.32 0.00 9 K 7.75 4.30 0.00 1.78 1.61 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.18 1.18 7.81 10 M 8.62 4.80 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 11 I 8.66 4.17 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.62 0.92 0.00 0.00 12 L 7.59 4.83 0.00 1.65 1.46 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.53 4.84 1.88 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 1.38 0.78 0.94 0.00 0.00 14 R 9.60 4.76 0.00 1.83 2.04 0.00 2.81 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 15 R 8.48 4.87 0.00 1.92 1.91 0.00 2.75 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.75 0.00 16 T 8.19 4.37 4.23 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 1.30 0.00 0.00 17 A 8.00 4.23 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.57 0.00 1.80 1.92 0.00 2.69 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 19 M 8.46 4.79 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 20 Q 8.36 4.36 0.00 2.09 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 21 A 8.52 4.20 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.12 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 0.00 0.00 0.00 23 G 6.79 3.90 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 0.00 24 R 8.25 4.48 0.00 1.48 1.80 0.00 3.03 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 25 R 8.26 4.72 0.00 1.72 1.82 0.00 3.46 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 26 F 9.07 4.68 0.00 2.59 2.68 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 0.00 0.00 0.00 0.00 27 R 7.44 4.57 0.00 1.88 1.72 0.00 3.17 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 28 F 9.33 5.16 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 29 G 9.42 4.58 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 30 A 9.02 4.93 1.14 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 0.00 0.00 31 L 8.23 4.64 0.00 1.72 1.56 1.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.03 4.67 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 0.92 0.00 0.00 0.97 0.00 0.00 33 V 8.26 5.29 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 1.08 0.00 0.00 0.99 0.00 0.00 34 V 8.43 4.18 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 1.04 0.00 0.00 1.01 0.00 0.00 35 G 8.22 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 0.00 0.00 0.00 36 D 8.17 4.62 0.00 2.61 1.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.53 4.06 0.00 1.96 2.02 0.00 3.17 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.55 0.00 38 Q 8.55 4.54 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.18 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 39 G 7.35 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 40 R 7.68 4.79 0.00 1.56 1.70 0.00 3.11 0.00 0.00 3.27 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 41 V 8.17 4.49 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 0.76 0.00 0.00 0.89 0.00 0.00 42 G 8.44 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 0.00 0.00 0.00 0.00 43 L 8.54 5.27 0.00 1.65 1.55 1.05 1.01 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 44 G 9.76 4.38 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 45 F 9.06 5.19 0.00 3.16 2.91 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 46 G 8.13 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 47 K 8.78 5.38 0.00 1.75 1.88 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.73 1.86 7.81 48 A 9.92 4.85 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 49 P 0.00 4.63 0.00 2.14 2.22 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 50 E 7.78 4.23 0.00 2.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 51 V 7.33 3.22 1.82 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 0.87 0.00 0.00 0.27 0.00 0.00 52 P 0.00 4.10 0.00 2.12 2.03 0.00 3.43 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 2.03 2.10 0.00 53 L 7.89 3.90 0.00 1.88 1.75 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.21 4.17 1.49 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 55 V 7.55 3.46 2.33 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 0.82 0.00 0.00 0.91 0.00 0.00 56 Q 8.27 4.06 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.40 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 57 K 8.63 3.99 0.00 2.09 1.97 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 3.21 0.00 0.00 0.00 0.00 2.06 1.77 7.81 58 A 8.28 4.37 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.73 3.72 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 0.00 0.00 0.00 60 Y 7.96 4.41 0.00 2.71 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 61 Y 7.87 4.07 0.00 3.26 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 62 A 8.58 4.07 1.46 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 0.00 0.00 63 R 8.00 4.13 0.00 1.83 2.06 0.00 3.25 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 64 R 7.69 4.29 0.00 1.71 1.99 0.00 2.71 0.00 0.00 2.87 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 65 N 8.07 4.97 0.00 2.75 2.58 0.00 0.00 6.81 7.22 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 66 M 7.88 4.65 0.00 2.05 1.67 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 67 V 7.92 4.28 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 0.71 0.00 0.00 0.93 0.00 0.00 68 E 8.39 4.58 0.00 1.99 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 2.25 2.30 0.00 69 V 7.68 3.46 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 0.91 0.00 0.00 0.91 0.00 0.00 70 P 0.00 4.77 0.00 2.09 2.01 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 71 L 7.57 4.59 0.00 1.62 1.63 1.05 1.11 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 72 Q 7.79 3.95 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.31 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 73 N 9.16 3.83 0.00 2.82 2.82 0.00 0.00 7.26 7.98 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 74 G 8.54 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.19 4.56 4.47 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 1.34 0.00 0.00 76 I 7.95 4.53 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.08 0.90 0.00 0.00 77 P 0.00 4.25 0.00 2.40 2.17 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 78 H 7.79 5.04 0.00 3.24 3.28 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.52 4.80 0.00 1.85 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 2.28 2.36 0.00 80 I 8.76 4.74 1.85 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 1.07 0.78 0.84 0.00 0.00 81 E 8.74 5.08 0.00 1.83 1.86 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 2.20 2.26 0.00 82 V 9.04 4.50 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 1.15 0.00 0.00 0.96 0.00 0.00 83 E 8.95 5.11 0.00 1.90 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 2.25 2.30 0.00 84 F 9.53 4.42 0.00 3.03 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 85 G 8.33 3.97 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 0.00 86 A 8.07 4.71 1.25 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 0.00 0.00 87 S 8.74 4.79 0.00 3.94 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 88 K 8.37 5.14 0.00 1.80 1.59 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 89 I 9.10 4.99 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.99 0.97 0.00 0.00 90 V 8.38 4.89 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 0.65 0.00 0.00 0.93 0.00 0.00 91 L 9.76 4.83 0.00 1.52 1.51 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.11 4.92 0.00 1.84 1.69 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.34 7.81 93 P 0.00 4.67 0.00 2.08 2.31 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 94 A 8.17 4.78 1.17 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 0.00 0.00 95 A 8.32 4.24 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 5.16 0.00 2.05 1.99 0.00 3.70 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 97 G 9.01 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.54 3.69 4.45 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 1.21 0.00 0.00 99 G 7.29 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 0.00 100 V 8.23 4.60 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 0.80 0.00 0.00 0.95 0.00 0.00 101 I 8.61 4.52 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.86 0.91 0.00 0.00 102 A 7.67 5.39 1.18 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 0.00 103 G 8.76 3.98 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 0.00 104 A 8.07 4.17 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.70 3.46 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 0.99 0.00 0.00 0.96 0.00 0.00 106 P 0.00 4.28 0.00 2.29 2.26 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 107 R 7.98 3.94 0.00 1.89 2.32 0.00 3.21 0.00 0.00 3.59 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 108 A 7.76 3.92 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 0.00 109 I 8.37 4.13 2.03 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 0.95 0.90 0.00 0.00 110 L 7.72 4.07 0.00 1.79 1.71 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.45 4.09 0.00 1.98 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 2.34 2.38 0.00 112 L 7.93 4.01 0.00 1.83 1.68 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.34 4.17 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 0.00 114 G 7.77 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.28 4.02 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 0.79 0.00 0.00 0.92 0.00 0.00 116 T 9.06 4.49 4.35 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 1.21 0.00 0.00 117 D 7.90 5.60 0.00 2.54 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 0.00 118 I 8.14 4.81 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 1.34 1.20 0.91 0.00 0.00 119 L 9.47 5.04 0.00 1.66 1.52 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.18 5.57 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 1.21 0.00 0.00 121 K 8.12 4.49 0.00 1.85 1.62 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.47 7.81 122 E 8.81 4.83 0.00 1.88 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 0.00 2.22 2.15 0.00 123 L 8.20 4.25 0.00 1.54 1.60 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.71 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 4.31 0.00 3.87 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 0.00 126 R 8.51 4.16 0.00 1.84 1.96 0.00 3.31 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 127 N 7.76 4.03 0.00 2.79 2.74 0.00 0.00 7.01 7.59 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 0.00 128 P 0.00 4.34 0.00 2.09 2.12 0.00 3.75 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 2.05 2.16 0.00 129 I 8.02 3.80 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.90 0.36 0.00 0.00 130 N 8.08 3.14 0.00 2.78 3.23 0.00 0.00 6.79 7.32 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 0.00 131 I 7.16 3.62 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.21 0.89 0.00 0.00 132 A 10.60 4.20 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 7.74 4.33 0.00 1.43 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 0.00 134 A 8.13 4.06 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 0.00 135 T 7.73 3.79 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 1.20 0.00 0.00 136 M 8.58 4.03 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 137 E 7.73 4.11 0.00 2.34 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 2.40 2.61 0.00 138 A 7.86 4.12 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 0.00 139 L 7.80 3.95 0.00 1.86 1.75 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.82 4.40 0.00 2.11 2.00 0.00 3.51 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 141 Q 7.03 5.06 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.49 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 142 L 7.92 4.76 0.00 1.74 1.64 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.24 4.73 0.00 1.65 1.73 0.00 3.32 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 144 T 8.09 4.65 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 0.00 145 K 8.65 3.57 0.00 1.80 1.88 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.49 7.81 146 A 8.38 3.99 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 0.00 147 D 7.70 4.38 0.00 2.86 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 0.00 148 V 8.75 3.67 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 1.02 0.00 0.00 0.94 0.00 0.00 149 E 9.09 3.89 0.00 1.96 1.99 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 2.49 2.47 0.00 150 R 7.41 3.62 0.00 1.76 2.00 0.00 3.24 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 151 L 7.56 4.46 0.00 1.78 1.69 0.92 1.30 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 0.00 152 R 8.74 4.66 0.00 1.58 1.86 0.00 3.15 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 1.55 0.00 153 K 8.15 3.90 0.00 1.74 1.63 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.37 7.81 154 G 8.59 3.70 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 0.00 0.00 0.00 *155 E 7.71 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.