NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 5.0315 8.1032 118.1573 59.7959 30.3876 172.0830 2 L 4.9847 8.9354 122.5170 52.3442 44.0786 174.7117 3 A 4.7053 9.0327 124.8156 51.6447 20.1531 176.3468 4 E 4.2120 9.0105 122.1460 58.2442 29.8102 177.5966 5 G 3.9947 10.1187 115.4932 45.2285 0.0000 173.8834 6 T 4.0256 7.8235 117.5336 64.2503 69.5769 173.4823 7 R 4.9771 9.3270 126.2424 55.3746 32.1772 175.5477 8 I 4.8872 9.2294 124.5194 59.4243 40.8140 174.2890 9 F 4.8711 8.9754 129.6308 57.5467 41.1717 173.6301 10 D 5.3937 8.5588 126.7455 51.3007 41.4850 175.1285 11 P 4.2002 0.0000 0.0000 64.3542 31.8647 177.6828 12 V 3.7921 8.0854 119.4856 64.7997 31.7617 176.6026 13 T 4.1838 8.0176 107.7769 61.0955 69.8609 175.6584 14 G 3.9442 8.4324 109.5891 45.1715 0.0000 173.1997 15 T 4.3723 7.5396 117.1644 63.1532 70.1046 173.7823 16 T 5.0321 8.4714 122.0495 62.4983 70.2139 173.7518 17 H 5.0469 9.5140 123.3532 54.0650 32.7681 173.2640 18 R 4.7474 8.2980 119.3479 55.0398 31.5428 177.3472 19 I 3.6397 8.9154 124.5483 64.3709 37.8439 178.0171 20 E 2.6048 7.7548 117.6862 59.0218 29.2883 178.8098 21 D 4.2529 7.8866 119.6520 57.0010 40.8037 178.7837 22 V 3.5936 7.6425 118.4040 65.8475 31.6035 178.2113 23 V 3.7353 7.8488 117.9257 66.1627 31.2965 177.6024 24 D 4.3282 8.1408 117.6705 57.1463 40.7414 177.7914 25 G 3.7562 7.8493 104.5747 44.2524 0.0000 173.7082 26 R 2.0000 7.1425 117.3226 56.1040 27.9865 177.2028 27 K 4.1072 7.8943 116.9414 55.6679 33.2667 177.5727 28 P 4.8568 0.0000 0.0000 61.8661 30.0647 174.7523 29 I 4.3105 7.3628 117.6006 61.2681 40.8027 175.4813 30 H 5.3355 9.2878 118.1265 54.2774 32.5338 173.6760 31 V 5.0205 8.6331 112.9463 58.7297 37.0016 174.2848 32 V 4.7061 8.3447 120.9257 62.1395 32.9343 174.4729 33 A 5.2179 9.6762 129.1736 50.0751 22.7925 174.2721 34 A 5.0113 8.7259 122.1679 50.6871 20.5634 177.7816 35 A 4.3839 9.0596 126.4383 50.5024 20.3153 178.0244 36 K 3.9417 8.6714 119.7876 59.7582 32.0619 177.0240 37 D 4.6085 8.0967 115.2717 53.1854 39.4737 177.1515 38 G 3.9252 8.1530 109.1008 45.5545 0.0000 174.2734 39 T 4.2645 8.0124 110.3727 61.5186 70.4530 173.4696 40 L 5.3167 8.2992 122.2855 53.7269 43.7808 175.4969 41 H 5.0745 9.6258 118.9168 54.0557 33.8633 171.9076 42 A 5.0687 8.5731 121.7216 51.1437 19.8894 177.0021 43 R 4.8550 8.8525 120.9750 53.7030 35.0221 173.0001 44 P 4.7206 0.0000 0.0000 62.1238 33.4627 174.9295 45 V 4.2111 8.1153 122.1495 62.6483 31.7888 176.0725 46 V 4.1224 8.4950 119.4418 61.0520 33.5680 175.7817 47 S 4.2423 6.7403 115.5245 56.4653 67.5182 172.9070 48 W 5.4044 8.5067 121.4744 55.0433 32.8007 174.7642 49 F 4.8212 9.5930 121.8882 55.8579 42.7605 173.3970 50 D 5.0000 9.0009 123.4898 52.9966 41.2763 175.6448 51 Q 4.1615 8.5201 124.3746 55.7498 29.6852 177.3791 52 G 3.8406 8.0318 107.3076 44.6172 0.0000 172.6846 53 T 4.5974 8.0501 115.4515 63.7256 69.0589 174.6401 54 R 4.7281 9.0565 124.3562 54.7335 35.5529 173.6684 55 D 5.1162 8.6223 119.8190 54.5236 42.2039 176.3625 56 V 4.9071 9.1555 116.2811 59.5690 36.0157 174.7180 57 I 5.0211 8.9513 117.1295 59.1757 41.0093 174.4455 58 G 3.1116 7.8726 109.6425 43.8169 0.0000 172.0514 59 L 4.8290 8.0901 121.7954 52.5935 44.7657 175.4266 60 R 4.7590 8.7097 125.6375 54.9492 31.6729 175.1765 61 I 4.8512 8.8499 127.2731 59.1971 40.0031 175.0790 62 A 4.1036 8.6153 127.8804 53.2760 18.0349 177.5385 63 G 3.8866 9.7753 110.7269 45.0033 0.0000 174.8738 64 G 3.9883 8.2127 106.6599 44.8203 0.0000 173.9303 65 A 4.2559 7.8981 122.1306 52.0535 19.8423 176.6780 66 I 5.0131 8.2755 121.3127 59.6083 40.7812 175.0254 67 V 4.5684 8.4473 126.9833 59.5312 34.4902 174.5661 68 W 5.2552 8.8619 122.7355 55.0199 31.7628 174.5456 69 A 5.2861 8.9165 125.4761 50.3559 22.9390 175.3242 70 T 4.4580 8.7449 109.6655 60.6387 69.6032 173.8635 71 P 4.2824 0.0000 0.0000 65.7402 31.4852 177.3588 72 D 4.7232 7.9201 114.2349 53.4572 40.2854 175.8198 73 H 4.2225 8.4124 122.7084 56.4160 31.1446 174.2708 74 K 4.8675 8.4740 125.1799 56.1823 33.4893 175.9020 75 V 4.9536 9.2347 124.7969 60.9298 34.9856 174.0451 76 L 4.0646 8.6326 129.4296 54.6007 43.2398 175.9695 77 T 4.8729 8.3221 115.9606 59.3376 71.8890 174.2471 78 E 3.2741 7.8123 117.9465 57.8032 29.2733 177.2126 79 Y 4.7726 7.5371 117.0556 57.6683 38.8640 177.4426 80 G 3.7219 7.8342 109.8637 44.4522 0.0000 172.7102 81 W 4.9363 8.4991 119.9646 57.0001 29.8310 176.3298 82 R 4.9013 9.3186 122.4873 54.1276 34.6413 174.4845 83 A 4.5150 8.7285 123.9970 52.0136 19.3871 178.1021 84 A 3.9309 9.5057 126.6257 55.4818 18.4916 180.2079 85 G 3.8282 8.6550 102.8788 47.5285 0.0000 174.0279 86 E 4.3533 8.0512 118.6254 57.1659 30.3419 176.8741 87 L 4.4349 7.5564 118.3916 54.7406 42.4551 176.3027 88 R 4.7407 9.1327 119.5947 53.6913 34.2833 175.1150 89 K 4.2251 8.4348 118.7434 58.8529 32.8311 175.5200 90 G 4.1347 8.7973 109.1228 45.8487 0.0000 174.1795 91 D 4.6455 8.1218 118.7076 54.2705 42.3782 175.8198 92 R 4.9708 8.4020 120.3552 54.6557 32.6146 175.9117 93 V 4.7777 8.5305 116.1983 59.3452 35.3631 174.6409 94 A 4.8204 8.9401 125.2227 51.8627 19.6375 177.2555 95 V 4.8322 8.8083 115.4436 59.3517 36.6161 174.7990 96 R 4.5011 8.3423 123.5342 55.2783 30.7033 175.6531 97 D 4.4026 9.1437 128.0064 54.3756 41.6066 177.3679 98 V 3.6234 8.7110 125.9735 64.9998 32.0455 176.1191 99 E 4.4153 8.3897 118.0684 58.6109 30.3786 177.4873 100 T 3.9977 7.8283 106.5331 62.1703 69.4123 175.8708 101 G 3.8686 8.3172 109.2412 45.3882 0.0000 172.9195 102 E 4.3713 7.7404 119.4970 54.9628 32.0964 175.0861 *404 L 4.6900 8.1969 120.1758 54.8737 42.7783 176.6497 405 R 4.5337 8.6577 118.8504 54.6130 33.6408 173.3783 406 Y 5.2267 8.2046 117.2343 57.1701 39.8674 174.6198 407 S 4.8544 9.1078 118.6033 56.0777 66.1615 173.4915 408 V 4.1513 8.3182 126.1322 61.7252 33.0105 175.1151 409 I 4.2013 8.6490 125.2509 61.2889 37.3494 177.0809 410 R 3.9858 8.9063 127.9003 59.0572 30.6532 177.0136 411 E 4.6527 7.8454 117.1719 54.9958 33.2637 173.8984 412 V 4.4585 8.2451 126.0049 61.4951 32.7616 175.1163 413 L 4.5627 8.7542 128.9429 53.0492 43.0677 174.8684 414 P 4.5278 0.0000 0.0000 63.1788 31.9433 176.1895 415 T 4.6400 8.5129 118.0121 64.3587 69.1826 173.6587 416 R 4.7560 8.9080 119.9642 54.9834 33.3804 174.1192 417 R 4.8500 8.4581 119.0694 56.0364 31.3149 175.6259 418 A 4.5164 8.4516 122.2736 50.9199 23.5059 175.8118 419 R 4.4076 8.5181 119.0746 56.4359 31.6099 176.0549 420 T 5.2485 8.2650 112.5504 60.3793 72.5639 172.2723 421 Y 5.3949 9.3646 119.3214 57.0752 43.1449 173.6530 422 D 5.2765 9.3846 119.1352 53.0299 45.8012 174.7571 423 L 5.0626 8.5025 119.4629 53.2127 46.0470 175.5517 424 E 4.5150 8.8835 122.4050 54.8351 31.6397 174.9929 425 V 4.4943 8.0161 124.6919 60.7745 33.3900 174.4585 426 E 3.6928 8.7318 129.8626 58.1325 29.5348 176.1252 427 E 4.0545 8.9662 132.4454 57.6210 28.2831 175.4019 428 L 4.1769 7.5630 116.9213 55.4748 42.1796 177.2012 429 H 4.1995 7.7950 114.1139 56.4893 26.6875 174.1123 430 T 5.0625 7.2677 107.5069 60.5845 72.1994 172.5329 431 L 4.7730 8.7938 120.6285 54.8723 44.3006 174.4588 432 V 4.6468 8.4680 121.3044 61.7658 32.3136 175.0578 433 A 4.7021 8.9745 132.0394 51.4057 20.8224 175.6949 434 E 3.9593 9.8903 122.2954 57.3679 27.8901 176.1469 435 G 3.9540 8.4575 106.4581 45.2283 0.0000 173.6979 436 V 4.4557 7.5993 119.9967 60.7394 33.5190 174.6403 437 V 4.4259 8.5464 127.1949 62.8944 32.2331 175.1995 438 V 5.0706 8.9000 121.4253 59.3860 35.8030 175.6038 439 H 4.1244 9.3814 121.8314 56.5217 29.2483 175.0297 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 C 8.10 5.03 0.00 2.94 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 2 L 8.94 4.98 0.00 1.70 1.65 0.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.03 4.71 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 4 E 9.01 4.21 0.00 2.32 1.97 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 2.36 2.35 0.00 5 G 10.12 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 0.00 0.00 0.00 0.00 6 T 7.82 4.03 4.33 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 1.30 0.00 0.00 7 R 9.33 4.98 0.00 1.95 1.91 0.00 3.10 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 1.65 1.86 0.00 8 I 9.23 4.89 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.97 0.00 0.00 9 F 8.98 4.87 0.00 3.13 2.99 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 0.00 10 D 8.56 5.39 0.00 2.70 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 4.20 0.00 2.24 2.27 0.00 3.84 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 1.94 1.97 0.00 12 V 8.09 3.79 2.09 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 0.66 0.00 0.00 0.70 0.00 0.00 13 T 8.02 4.18 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 1.24 0.00 0.00 14 G 8.43 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.54 4.37 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 1.03 0.00 0.00 16 T 8.47 5.03 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 1.30 0.00 0.00 17 H 9.51 5.05 0.00 3.01 3.18 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.30 4.75 0.00 1.92 2.11 0.00 3.14 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 19 I 8.92 3.64 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.93 0.00 0.00 20 E 7.75 2.60 0.00 1.72 1.50 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 2.21 2.26 0.00 21 D 7.89 4.25 0.00 2.89 2.73 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 22 V 7.64 3.59 2.28 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 1.36 0.00 0.00 0.96 0.00 0.00 23 V 7.85 3.74 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 1.27 0.00 0.00 1.29 0.00 0.00 24 D 8.14 4.33 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 25 G 7.85 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 26 R 7.14 2.00 0.00 1.32 0.95 0.00 2.74 0.00 0.00 2.87 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 27 K 7.89 4.11 0.00 1.76 1.75 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.42 7.81 28 P 0.00 4.86 0.00 2.27 2.28 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 29 I 7.36 4.31 1.96 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 1.38 0.65 0.72 0.00 0.00 30 H 9.29 5.34 0.00 3.31 3.18 0.00 5.75 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 31 V 8.63 5.02 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 0.93 0.00 0.00 0.98 0.00 0.00 32 V 8.34 4.71 2.19 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 1.03 0.00 0.00 1.12 0.00 0.00 33 A 9.68 5.22 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 34 A 8.73 5.01 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 35 A 9.06 4.38 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 36 K 8.67 3.94 0.00 1.76 1.89 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.50 7.81 37 D 8.10 4.61 0.00 2.81 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 38 G 8.15 3.93 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 0.00 0.00 0.00 39 T 8.01 4.26 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 1.25 0.00 0.00 40 L 8.30 5.32 0.00 1.54 1.64 0.98 1.08 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 41 H 9.63 5.07 0.00 2.95 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.57 5.07 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 43 R 8.85 4.86 0.00 1.69 1.73 0.00 3.41 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 44 P 0.00 4.72 0.00 1.97 1.93 0.00 3.64 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 1.96 1.91 0.00 45 V 8.12 4.21 1.97 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 0.14 0.00 0.00 0.85 0.00 0.00 46 V 8.49 4.12 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 0.63 0.00 0.00 0.82 0.00 0.00 47 S 6.74 4.24 0.00 3.77 3.62 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 48 W 8.51 5.40 0.00 3.09 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 49 F 9.59 4.82 0.00 3.05 2.98 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 50 D 9.00 5.00 0.00 2.81 2.65 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 0.00 0.00 0.00 51 Q 8.52 4.16 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.39 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 52 G 8.03 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 0.00 0.00 0.00 53 T 8.05 4.60 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 1.28 0.00 0.00 54 R 9.06 4.73 0.00 1.68 1.79 0.00 3.11 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 55 D 8.62 5.12 0.00 2.64 2.63 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 56 V 9.16 4.91 2.37 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 0.93 0.00 0.00 1.10 0.00 0.00 57 I 8.95 5.02 1.86 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 1.34 0.76 0.97 0.00 0.00 58 G 7.87 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 0.00 0.00 0.00 59 L 8.09 4.83 0.00 1.45 1.46 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.71 4.76 0.00 1.79 1.72 0.00 3.07 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 61 I 8.85 4.85 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 1.30 0.75 0.92 0.00 0.00 62 A 8.62 4.10 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 63 G 9.78 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 64 G 8.21 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 0.00 0.00 0.00 0.00 65 A 7.90 4.26 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 66 I 8.28 5.01 1.95 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 1.37 0.90 0.78 0.00 0.00 67 V 8.45 4.57 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 0.75 0.00 0.00 0.98 0.00 0.00 68 W 8.86 5.26 0.00 3.32 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 69 A 8.92 5.29 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 70 T 8.74 4.46 4.28 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 1.31 0.00 0.00 71 P 0.00 4.28 0.00 2.22 2.20 0.00 3.62 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 72 D 7.92 4.72 0.00 2.77 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 73 H 8.41 4.22 0.00 3.40 3.29 0.00 5.77 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.47 4.87 0.00 1.57 1.85 0.00 1.18 0.00 0.00 1.65 0.00 0.00 2.55 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.49 1.26 7.81 75 V 9.23 4.95 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 1.07 0.00 0.00 1.04 0.00 0.00 76 L 8.63 4.06 0.00 0.87 1.27 -0.11 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.32 4.87 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 1.25 0.00 0.00 78 E 7.81 3.27 0.00 1.21 1.12 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 1.66 1.47 0.00 79 Y 7.54 4.77 0.00 2.95 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 80 G 7.83 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 81 W 8.50 4.94 0.00 3.21 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 82 R 9.32 4.90 0.00 1.79 1.82 0.00 3.33 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 83 A 8.73 4.51 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 84 A 9.51 3.93 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 85 G 8.66 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 86 E 8.05 4.35 0.00 2.08 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 2.43 0.00 87 L 7.56 4.43 0.00 1.75 1.60 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 88 R 9.13 4.74 0.00 1.75 1.75 0.00 3.30 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 89 K 8.43 4.23 0.00 2.04 1.81 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.45 7.81 90 G 8.80 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 91 D 8.12 4.65 0.00 2.69 2.54 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 92 R 8.40 4.97 0.00 1.32 1.66 0.00 3.05 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 93 V 8.53 4.78 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 0.71 0.00 0.00 0.99 0.00 0.00 94 A 8.94 4.82 1.19 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 0.00 0.00 95 V 8.81 4.83 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 0.76 0.00 0.00 0.95 0.00 0.00 96 R 8.34 4.50 0.00 1.85 1.84 0.00 3.30 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 97 D 9.14 4.40 0.00 2.77 2.54 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 98 V 8.71 3.62 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 0.80 0.00 0.00 0.89 0.00 0.00 99 E 8.39 4.42 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 100 T 7.83 4.00 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 1.19 0.00 0.00 101 G 8.32 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 0.00 102 E 7.74 4.37 0.00 1.91 1.84 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 2.23 2.42 0.00 *404 L 8.20 4.69 0.00 1.44 1.48 0.93 0.80 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 0.00 405 R 8.66 4.53 0.00 1.75 1.88 0.00 2.73 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 406 Y 8.20 5.23 0.00 2.88 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 0.00 407 S 9.11 4.85 0.00 3.84 3.64 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 0.00 408 V 8.32 4.15 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 0.84 0.00 0.00 0.96 0.00 0.00 409 I 8.65 4.20 1.83 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 1.18 0.60 0.89 0.00 0.00 410 R 8.91 3.99 0.00 1.78 1.96 0.00 3.35 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 411 E 7.85 4.65 0.00 1.98 1.69 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 2.24 2.27 0.00 412 V 8.25 4.46 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 0.80 0.00 0.00 0.89 0.00 0.00 413 L 8.75 4.56 0.00 1.02 1.60 0.57 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 414 P 0.00 4.53 0.00 2.15 2.12 0.00 3.87 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 415 T 8.51 4.64 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 1.33 0.00 0.00 416 R 8.91 4.76 0.00 1.77 1.96 0.00 2.30 0.00 0.00 2.59 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.00 417 R 8.46 4.85 0.00 1.70 1.88 0.00 3.48 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 418 A 8.45 4.52 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 0.00 419 R 8.52 4.41 0.00 2.01 1.86 0.00 3.21 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 420 T 8.27 5.25 4.26 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 1.28 0.00 0.00 421 Y 9.36 5.39 0.00 2.98 3.06 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 0.00 422 D 9.38 5.28 0.00 2.66 2.54 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 0.00 423 L 8.50 5.06 0.00 1.47 1.42 0.96 1.00 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 0.00 424 E 8.88 4.51 0.00 1.86 1.77 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 2.46 2.48 0.00 425 V 8.02 4.49 2.00 0.00 0.00 0.00 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 0.94 0.00 0.00 426 E 8.73 3.69 0.00 1.90 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 2.28 2.23 0.00 427 E 8.97 4.05 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 428 L 7.56 4.18 0.00 1.74 1.87 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 429 H 7.80 4.20 0.00 3.16 3.18 0.00 5.61 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 430 T 7.27 5.06 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 431 L 8.79 4.77 0.00 1.77 1.79 0.98 0.91 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 0.00 432 V 8.47 4.65 2.17 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 0.78 0.00 0.00 1.03 0.00 0.00 433 A 8.97 4.70 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 0.00 434 E 9.89 3.96 0.00 2.19 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 2.33 2.60 0.00 435 G 8.46 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 0.00 436 V 7.60 4.46 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 1.13 0.00 0.00 0.94 0.00 0.00 437 V 8.55 4.43 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 0.96 0.00 0.00 0.95 0.00 0.00 438 V 8.90 5.07 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 0.86 0.00 0.00 1.13 0.00 0.00 439 H 9.38 4.12 0.00 2.68 2.96 0.00 5.78 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 * Residues marked with a * may have inaccurate shift predictions.