NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.9083 8.2833 118.1709 52.1887 38.9270 175.0175 2 L 4.0061 8.3375 118.6267 57.6453 41.3205 179.1349 3 F 4.3411 8.9547 118.5991 60.8654 39.2360 177.3267 4 Q 4.5322 8.4465 118.8514 58.3255 28.4049 178.4235 5 F 4.6420 8.5893 122.0085 61.3408 39.3666 177.3835 6 G 3.5674 8.5852 105.8012 47.9171 0.0000 175.3657 7 E 4.1316 8.6344 121.1343 59.5786 29.5087 179.5220 8 M 4.4832 8.2940 118.7144 58.5175 31.9970 178.7995 9 I 3.6087 8.0181 120.3520 64.2737 37.2251 178.2529 10 L 4.2311 8.2088 122.8034 57.5181 41.6751 178.7619 11 Q 3.7676 7.8569 118.5971 59.2065 29.0727 178.1564 12 K 4.1648 8.0071 117.7741 58.1328 32.3324 178.3249 13 T 4.4948 8.0991 108.1526 60.4547 70.4333 175.6190 14 G 3.7587 8.0482 109.4021 45.8926 0.0000 173.2063 *16 K 4.2940 7.4029 117.7281 56.1608 33.5281 174.7498 17 E 4.4977 8.3262 121.6100 55.0649 30.0028 177.6263 18 V 3.7527 8.6016 124.7488 64.8944 31.4514 179.0126 19 V 3.5799 7.7687 112.3176 63.7474 31.4657 176.4189 20 H 4.9736 7.8550 114.4914 55.2449 30.0610 174.8498 21 S 4.7380 8.5069 112.8040 58.2063 64.5727 175.5079 22 Y 4.1309 8.7348 118.3144 60.6122 38.9563 178.5984 23 A 4.1672 8.3049 122.1479 54.3919 18.7723 178.3619 24 I 4.3984 8.2124 108.4515 60.5882 37.8695 174.1049 25 Y 4.9244 8.2011 122.6835 57.1499 40.6333 176.9007 26 G 3.9735 7.9024 114.5435 46.3978 0.0000 172.5242 27 C 4.6023 9.4196 115.0558 57.6073 41.0410 174.7333 28 Y 4.2372 8.6769 115.1763 58.0624 39.8925 176.3114 29 C 4.6213 8.8624 116.5366 59.0370 41.3116 174.2341 30 G 4.5425 7.5390 111.2405 45.2751 0.0000 175.5617 31 W 4.5035 8.9360 116.1019 55.2500 29.3511 175.5725 32 G 4.0204 8.1204 109.7959 44.8729 0.0000 171.4870 33 G 3.9158 7.2815 106.6173 45.2312 0.0000 173.0528 34 Q 4.5137 6.9803 115.1631 55.5649 31.9685 175.5821 35 G 4.3034 8.6472 106.6741 45.1484 0.0000 171.9381 36 R 4.5839 8.5375 119.7755 54.8483 30.8474 177.1447 37 A 4.4069 9.2119 129.2761 52.5604 18.4912 177.5634 38 Q 3.9886 8.9373 123.1482 58.5312 29.3017 175.2753 39 D 4.5141 7.2468 114.9171 51.2187 42.1215 175.3747 40 A 3.9936 8.6287 119.6939 55.6476 18.0782 179.7981 41 T 3.7862 7.9650 113.8859 66.9902 68.6002 176.1700 42 D 4.4779 8.6172 119.9269 57.3028 41.2197 178.5124 43 R 3.9733 8.2477 118.9023 59.4000 30.0693 178.0832 44 C 4.2954 8.2507 116.3479 60.4976 39.8985 175.7302 45 C 4.2783 8.0148 118.0445 59.6472 41.0071 175.7728 46 F 4.2417 8.2201 122.4295 61.3257 38.8785 177.2386 47 V 3.2023 8.2779 118.1379 66.1454 31.2369 177.2994 48 H 3.7923 8.0015 117.8355 59.3403 29.5329 176.8507 49 D 4.1964 8.0695 120.7595 57.6441 40.4412 178.1728 50 C 4.0357 7.4418 115.6800 59.9507 41.4507 175.0974 51 C 4.2616 8.0190 120.2059 59.9535 43.7873 175.3474 52 Y 4.2126 8.1317 118.4872 60.8052 37.1955 178.3388 53 G 3.6801 8.1481 106.2265 47.1773 0.0000 175.0053 54 T 4.2403 7.6845 110.6012 62.0295 69.2696 174.7499 55 V 3.9303 7.3264 122.8328 62.1506 32.0617 174.8335 56 N 4.6254 8.5892 124.0421 54.4788 40.3712 176.1116 *58 D 4.6812 8.1888 114.4613 53.7362 42.7638 173.0978 59 C 4.4382 7.3090 113.2466 54.4214 39.9417 172.1707 *61 N 5.0958 8.7127 116.4084 53.1197 38.3683 172.3729 *68 P 4.1031 0.0000 0.0000 62.3612 33.3887 177.9880 69 K 4.0999 8.0163 120.1145 58.5384 32.1786 177.7846 70 T 4.4124 7.6305 105.1905 60.7945 69.4319 173.7339 71 A 3.9660 7.8682 126.6019 52.6692 18.5300 177.3649 72 T 4.2986 8.4510 120.9790 62.2402 68.9301 174.0081 73 Y 4.8245 7.4569 124.6049 55.4979 40.4738 174.7850 74 S 5.0731 9.7002 116.5770 57.2138 64.7931 173.4593 75 Y 5.4670 8.3083 121.3640 55.8884 41.3182 173.5541 76 S 4.1233 8.9568 114.1814 56.9699 67.3896 172.2744 77 F 5.5794 8.2817 118.6040 56.1296 40.5684 176.1453 78 E 4.4883 9.4708 121.4701 56.2007 31.6736 174.9496 79 N 4.3088 9.8132 121.4892 54.2084 35.9568 175.7644 80 G 3.9358 8.5622 106.2228 45.5498 0.0000 173.9320 81 D 4.8059 8.1084 119.7661 53.2316 42.6313 174.3936 82 I 5.0983 8.1640 122.8823 59.5589 39.4423 175.3569 83 V 4.3912 9.2930 126.8573 61.2448 34.2610 173.5118 84 C 4.7823 8.9981 125.9912 56.2573 40.8288 173.6553 85 G 4.0359 8.7982 110.4364 45.9879 0.0000 173.5145 86 D 4.5445 7.8577 120.6843 54.1576 41.6219 176.5869 *88 N 4.7070 8.4588 118.9876 53.5724 40.8879 175.1443 89 D 4.4810 7.8518 118.1596 53.6527 42.5242 176.6140 90 L 3.9656 8.5165 127.9833 59.1354 40.6111 179.9739 91 C 4.2230 8.9114 119.7571 59.2686 43.5771 175.5288 92 L 3.9811 8.1368 120.1877 57.8445 41.2311 179.2903 93 R 3.7928 8.1516 118.6859 59.6453 29.9683 178.7496 94 T 3.7805 8.0511 115.7462 66.3453 68.3290 176.8215 95 V 3.4375 7.5824 120.0465 66.0680 31.5435 177.0425 96 C 2.8600 7.8986 118.2950 59.5206 44.2517 175.4793 97 E 3.7641 8.1973 120.1852 59.3662 28.9807 178.6917 98 C 4.0992 8.0245 116.5697 60.1939 40.8183 175.9674 99 D 3.6527 8.0208 120.4691 56.9366 40.3318 178.5171 100 R 3.8326 8.1423 119.4485 59.6992 30.0305 178.4114 101 A 3.9727 8.1555 120.0940 54.9699 18.3302 179.4169 102 A 3.9143 7.9846 119.0390 55.3855 18.4411 179.8070 103 A 3.9992 8.4601 119.4889 55.2669 18.3396 179.9764 104 I 3.6939 7.9153 118.5316 64.5327 36.9155 177.8801 105 C 4.2514 7.9933 118.5445 59.5020 40.4196 175.2698 106 L 4.0717 8.3037 121.1529 57.7223 41.2943 179.3914 107 G 3.8459 8.2663 106.0374 48.3954 0.0000 175.6313 108 Q 4.2293 8.3120 119.1471 57.5944 28.8617 177.0735 109 N 4.9592 7.7606 115.5566 52.9152 39.4723 176.9396 110 V 3.8273 7.5757 113.1299 64.0728 31.7036 177.7605 111 N 4.5982 8.2537 115.7381 54.5427 37.4187 175.4559 112 T 4.5092 7.8410 108.6369 61.2814 69.1527 173.8442 113 Y 3.9773 8.0734 124.5836 58.4273 39.2063 174.5949 114 D 4.9278 8.9820 126.7836 52.0922 42.4873 176.2394 115 K 3.8623 8.8317 127.5640 59.5499 32.1870 178.4973 116 N 4.4237 8.1944 114.2888 54.7302 38.6139 175.1266 117 Y 4.1070 7.4277 116.1281 57.6801 38.8658 175.4787 118 E 4.2215 7.9105 121.7544 57.7352 30.2506 176.7028 119 Y 3.7977 8.9032 119.2898 59.0745 36.3604 171.4375 120 Y 4.2048 7.6566 122.8772 60.5892 38.8888 178.7919 121 S 4.2869 8.1860 113.1271 60.6890 63.7915 175.1552 122 I 3.6344 7.8060 121.5055 64.0330 37.7070 177.3929 *124 S 4.7409 7.7401 112.1142 58.2210 64.8468 173.1246 125 H 4.6530 7.2138 118.1629 55.5534 30.7280 172.6659 126 C 4.3174 8.8719 116.1126 59.7657 37.3886 173.7625 127 T 4.1429 7.8945 114.3151 63.7215 69.1426 174.8415 128 E 4.3442 7.7568 121.8094 55.3700 31.1595 175.5994 129 E 4.3209 8.7205 121.5599 57.2241 30.1601 176.3700 130 S 4.9243 8.4624 120.0035 57.2788 64.3371 174.2116 131 E 3.8083 8.2788 122.0796 56.7377 29.6502 176.8435 132 Q 4.7461 8.0528 119.4278 54.1152 32.1941 176.3727 133 C 4.5572 9.0708 118.4371 57.4044 41.2357 173.5428 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 N 8.28 4.91 0.00 3.11 3.02 0.00 0.00 6.13 5.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.34 4.01 0.00 1.62 1.79 0.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.95 4.34 0.00 3.28 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 4 Q 8.45 4.53 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 5 F 8.59 4.64 0.00 3.32 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 6 G 8.59 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 0.00 0.00 0.00 7 E 8.63 4.13 0.00 2.44 2.34 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 2.49 2.80 0.00 8 M 8.29 4.48 0.00 2.23 2.39 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.36 0.00 9 I 8.02 3.61 1.78 0.00 0.00 -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 0.95 0.32 0.78 0.00 0.00 10 L 8.21 4.23 0.00 1.76 1.85 0.93 0.77 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 11 Q 7.86 3.77 0.00 1.81 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.94 0.00 12 K 8.01 4.16 0.00 1.76 1.83 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.64 7.81 13 T 8.10 4.49 4.36 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 1.14 0.00 0.00 14 G 8.05 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 *16 K 7.40 4.29 0.00 1.81 1.47 0.00 1.40 0.00 0.00 0.63 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.44 7.81 17 E 8.33 4.50 0.00 2.07 1.93 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 2.39 2.30 0.00 18 V 8.60 3.75 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 0.71 0.00 0.00 0.93 0.00 0.00 19 V 7.77 3.58 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 0.73 0.00 0.00 0.64 0.00 0.00 20 H 7.86 4.97 0.00 3.17 3.29 0.00 5.61 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.51 4.74 0.00 3.46 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.73 4.13 0.00 2.95 2.97 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 23 A 8.30 4.17 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.21 4.40 1.29 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.89 0.00 0.00 25 Y 8.20 4.92 0.00 3.13 2.88 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 26 G 7.90 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 27 C 9.42 4.60 0.00 3.18 3.09 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 28 Y 8.68 4.24 0.00 3.30 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 29 C 8.86 4.62 0.00 3.47 3.48 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 30 G 7.54 4.54 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 0.00 31 W 8.94 4.50 0.00 3.31 3.30 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 32 G 8.12 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 33 G 7.28 3.92 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 0.00 0.00 0.00 34 Q 6.98 4.51 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.17 2.55 0.00 35 G 8.65 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 0.00 0.00 0.00 0.00 36 R 8.54 4.58 0.00 1.79 2.12 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 37 A 9.21 4.41 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 38 Q 8.94 3.99 0.00 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.62 0.00 0.00 0.00 0.00 0.00 2.32 1.71 0.00 39 D 7.25 4.51 0.00 2.87 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 40 A 8.63 3.99 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 41 T 7.97 3.79 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 0.90 0.00 0.00 42 D 8.62 4.48 0.00 2.97 2.81 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 43 R 8.25 3.97 0.00 2.06 1.98 0.00 3.19 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 44 C 8.25 4.30 0.00 3.10 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.01 4.28 0.00 3.21 3.35 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 46 F 8.22 4.24 0.00 2.52 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.28 3.20 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 0.91 0.00 0.00 0.92 0.00 0.00 48 H 8.00 3.79 0.00 3.28 3.25 0.00 5.65 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 49 D 8.07 4.20 0.00 2.67 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 50 C 7.44 4.04 0.00 2.71 2.90 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 51 C 8.02 4.26 0.00 2.92 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 52 Y 8.13 4.21 0.00 3.01 2.87 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 53 G 8.15 3.68 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 0.00 0.00 0.00 54 T 7.68 4.24 4.20 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 1.20 0.00 0.00 55 V 7.33 3.93 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 0.73 0.00 0.00 0.92 0.00 0.00 56 N 8.59 4.63 0.00 2.84 2.78 0.00 0.00 7.09 8.08 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 *58 D 8.19 4.68 0.00 2.66 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 59 C 7.31 4.44 0.00 3.04 3.13 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 *61 N 8.71 5.10 0.00 2.72 2.76 0.00 0.00 7.40 7.71 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 *68 P 0.00 4.10 0.00 0.49 1.13 0.00 3.52 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.51 0.00 69 K 8.02 4.10 0.00 1.87 1.94 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.38 7.81 70 T 7.63 4.41 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 1.20 0.00 0.00 71 A 7.87 3.97 1.34 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 0.00 0.00 0.00 72 T 8.45 4.30 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 1.14 0.00 0.00 73 Y 7.46 4.82 0.00 3.26 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 74 S 9.70 5.07 0.00 3.80 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.31 5.47 0.00 2.92 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 76 S 8.96 4.12 0.00 3.70 3.78 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 77 F 8.28 5.58 0.00 3.03 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 78 E 9.47 4.49 0.00 2.11 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 0.00 2.25 2.32 0.00 79 N 9.81 4.31 0.00 2.93 2.98 0.00 0.00 7.25 7.65 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 80 G 8.56 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 81 D 8.11 4.81 0.00 2.75 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 82 I 8.16 5.10 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.01 0.94 0.00 0.00 83 V 9.29 4.39 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 1.06 0.00 0.00 0.96 0.00 0.00 84 C 9.00 4.78 0.00 3.02 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 85 G 8.80 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.86 4.54 0.00 2.73 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 *88 N 8.46 4.71 0.00 2.71 2.88 0.00 0.00 7.30 8.47 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 89 D 7.85 4.48 0.00 2.75 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 90 L 8.52 3.97 0.00 1.89 1.89 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.91 4.22 0.00 2.94 3.17 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 92 L 8.14 3.98 0.00 1.77 1.93 1.06 0.94 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 93 R 8.15 3.79 0.00 2.08 2.08 0.00 3.06 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 94 T 8.05 3.78 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 1.15 0.00 0.00 95 V 7.58 3.44 2.25 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 1.12 0.00 0.00 0.83 0.00 0.00 96 C 7.90 2.86 0.00 2.14 2.83 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 97 E 8.20 3.76 0.00 1.89 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 2.41 2.42 0.00 98 C 8.02 4.10 0.00 3.13 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 99 D 8.02 3.65 0.00 2.59 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 0.00 100 R 8.14 3.83 0.00 1.74 2.08 0.00 3.18 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 101 A 8.16 3.97 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 0.00 102 A 7.98 3.91 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 0.00 103 A 8.46 4.00 1.48 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 0.00 0.00 104 I 7.92 3.69 2.01 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 1.44 0.85 0.91 0.00 0.00 105 C 7.99 4.25 0.00 3.09 3.28 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 0.00 106 L 8.30 4.07 0.00 1.53 1.16 0.45 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.27 3.85 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 0.00 0.00 0.00 108 Q 8.31 4.23 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 109 N 7.76 4.96 0.00 2.77 2.83 0.00 0.00 6.86 7.73 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 0.00 110 V 7.58 3.83 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 0.96 0.00 0.00 0.95 0.00 0.00 111 N 8.25 4.60 0.00 2.86 2.98 0.00 0.00 5.91 7.71 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 0.00 112 T 7.84 4.51 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 1.26 0.00 0.00 113 Y 8.07 3.98 0.00 3.14 3.03 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 0.00 114 D 8.98 4.93 0.00 2.84 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.83 3.86 0.00 1.87 1.91 0.00 1.78 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.72 1.64 7.81 116 N 8.19 4.42 0.00 2.40 2.57 0.00 0.00 6.95 7.15 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 0.00 117 Y 7.43 4.11 0.00 1.43 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 7.91 4.22 0.00 2.05 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 2.40 2.36 0.00 119 Y 8.90 3.80 0.00 3.15 2.94 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 0.00 120 Y 7.66 4.20 0.00 3.18 3.03 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 0.00 121 S 8.19 4.29 0.00 4.09 4.08 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 0.00 122 I 7.81 3.63 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 1.25 1.16 1.05 0.00 0.00 *124 S 7.74 4.74 0.00 3.55 3.66 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 0.00 125 H 7.21 4.65 0.00 2.57 2.87 0.00 6.00 0.00 0.00 0.00 0.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.87 4.32 0.00 3.11 3.36 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 0.00 127 T 7.89 4.14 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 1.21 0.00 0.00 128 E 7.76 4.34 0.00 2.00 1.91 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 2.44 2.40 0.00 129 E 8.72 4.32 0.00 1.98 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 2.30 2.37 0.00 130 S 8.46 4.92 0.00 3.84 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 0.00 131 E 8.28 3.81 0.00 1.16 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 2.18 1.47 0.00 132 Q 8.05 4.75 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 133 C 9.07 4.56 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.