NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1952 8.0932 114.7979 57.7933 64.5253 174.3727 2 L 4.1496 8.3766 121.3086 57.6513 40.9385 178.6199 3 L 4.1857 8.4765 119.5688 57.5371 41.7631 178.9742 4 E 4.1506 8.2835 118.8090 59.2219 29.5091 178.8129 5 F 4.6741 8.4679 120.4178 61.5545 39.4807 177.2906 6 G 3.5264 8.7426 105.7192 47.2516 0.0000 175.7891 7 K 3.9943 7.7189 120.6985 59.7477 32.3161 178.8202 8 M 4.1019 8.2481 118.9804 58.4054 31.7673 178.6944 9 I 3.5608 7.5947 119.8546 64.4764 37.3063 178.3081 10 L 4.2314 7.7558 122.2046 57.4257 41.5858 178.9913 11 E 3.9312 7.8952 117.9986 59.6400 29.6471 178.8784 12 E 4.1624 8.6097 117.6504 58.5410 29.5947 177.8892 13 T 4.3222 8.2785 107.6550 60.6661 70.8759 175.6758 14 G 3.8040 7.9437 110.0016 45.4974 0.0000 173.0705 *16 K 4.7703 7.4310 117.5901 56.1201 33.2692 174.8826 17 L 4.2654 8.2227 120.8800 54.0278 42.8615 176.8884 18 A 4.1173 8.8793 126.4297 55.2083 18.3632 177.4591 19 I 4.7677 7.3661 115.5232 60.7982 37.3891 172.6356 20 P 4.8005 0.0000 0.0000 61.3645 29.1101 176.4890 21 S 4.4124 7.2939 116.6107 62.5482 63.3735 175.5739 22 Y 4.6131 7.9716 114.1202 57.4887 38.6442 176.3362 23 S 4.3832 8.2697 115.6007 58.4622 64.7507 174.5508 24 S 4.9128 7.6442 116.6317 57.7452 62.7409 173.0222 25 Y 4.6640 8.0976 121.5612 57.3152 41.3171 175.3035 26 G 3.5735 8.2601 117.1941 46.5026 0.0000 172.7722 27 C 4.5896 9.3732 116.1550 57.4020 41.1025 174.6802 28 Y 4.1330 8.3944 115.1462 57.9797 40.1457 175.0802 29 C 4.6011 8.2934 117.7493 58.9878 39.9453 172.2012 30 G 3.3230 6.9851 117.6424 44.9541 0.0000 172.3092 31 W 4.7297 8.2153 120.7121 56.8846 31.8750 176.9188 32 G 3.8462 8.7481 106.9657 48.5551 0.0000 173.6063 33 G 3.7801 7.8405 108.1967 44.9423 0.0000 172.1663 34 K 4.5010 7.5680 119.1570 56.5088 37.2930 178.0648 35 G 3.9003 8.8604 107.8518 44.7479 0.0000 171.9954 36 T 4.5391 8.1686 116.3646 60.7585 70.5893 172.3542 37 P 4.4960 0.0000 0.0000 63.4336 31.7954 176.3431 38 K 4.0934 8.5751 120.4984 57.7397 32.8790 175.6631 39 D 4.3422 7.3892 116.0965 51.1443 41.9447 175.5573 40 A 3.9879 8.7669 120.1877 56.2230 17.8772 179.9360 41 T 4.0069 7.8837 113.3211 66.8196 68.5332 176.3638 42 D 4.4863 8.8520 120.4105 57.4428 41.2363 178.5656 43 R 4.0138 8.3641 118.8951 59.1447 30.0226 178.2464 44 C 4.2737 8.1762 116.1262 60.3312 34.6767 175.5770 45 C 4.3788 8.2670 118.0980 59.8596 38.3021 175.9235 46 F 3.8168 8.3278 122.3752 61.2559 38.9677 177.3979 47 V 3.2544 8.3295 118.2072 65.9258 31.2934 177.4444 48 H 3.8546 8.1408 118.2954 59.0257 29.5698 176.4160 49 D 4.3076 7.4345 117.1729 54.7482 39.8411 177.1673 50 C 4.2325 7.3231 118.3313 59.8802 35.3571 174.8939 51 C 4.1350 7.8943 120.3079 59.8329 37.9070 175.2340 52 Y 4.1373 7.8871 118.1437 60.6127 37.1200 178.5518 53 G 3.6088 7.6158 108.3938 48.4592 0.0000 174.3565 54 N 4.5418 7.8706 114.9890 54.1255 39.1526 175.3283 55 L 4.7303 7.1524 118.8440 53.1211 41.1712 175.0479 56 P 4.2057 0.0000 0.0000 65.5755 32.2673 178.6778 *59 D 4.6774 7.8527 114.5338 53.2956 41.0865 175.2314 *61 C 5.3037 7.9158 116.8857 57.3969 35.7343 172.5887 *67 N 4.7023 7.9727 115.5549 52.0338 37.0964 172.6815 68 P 3.9888 0.0000 0.0000 66.1212 32.1091 178.5538 69 K 4.0550 8.2212 118.8748 58.7444 32.1725 177.9931 70 S 4.5360 7.7618 109.9434 58.3956 65.0325 173.8802 71 D 4.3552 7.8070 120.8170 54.2664 41.2021 175.5703 72 R 4.5389 8.6859 125.3988 54.6228 31.2334 174.9894 73 Y 4.9778 7.7201 118.6122 55.0076 41.4757 174.3065 74 K 4.9954 8.6030 118.0442 54.9344 35.7389 175.0871 75 Y 5.5256 8.2528 120.1878 56.0927 41.8923 173.2084 76 K 4.4891 9.2776 118.2944 56.4519 36.5469 174.3265 77 R 5.8067 8.4702 118.0898 53.9154 33.0257 176.5418 78 V 4.1839 7.8449 120.8569 61.9568 33.8115 175.1617 79 N 4.2789 9.7740 126.7504 54.5174 35.8064 175.5928 80 G 3.8737 8.3162 103.0032 45.7256 0.0000 173.3461 81 A 4.7625 7.5768 121.9083 50.0811 21.4961 176.7261 82 I 4.3919 8.2619 122.0063 61.3299 38.1035 175.7985 83 V 4.4407 9.2204 126.7101 61.1931 34.8323 173.5861 84 C 4.8821 8.8974 125.6267 56.3669 40.5473 173.5115 85 E 4.2910 8.8382 124.1372 56.1346 29.7403 177.0099 86 K 4.1468 8.5259 121.8447 56.1311 33.9585 176.2622 *88 G 4.3271 8.1118 110.8805 45.4433 0.0000 173.6809 89 T 4.2223 8.2473 113.9907 61.0228 71.1366 175.5435 90 S 4.0542 8.6508 116.6739 62.0735 62.2722 177.2220 91 C 4.2069 8.1253 118.2694 60.2122 34.6672 175.5030 92 E 3.9844 8.0593 119.4888 59.8886 29.2290 179.5499 93 N 4.2545 8.2819 116.1315 56.3342 38.6650 177.8319 94 R 3.8654 8.0824 119.5267 59.1461 30.1570 179.0061 95 I 3.5882 8.1716 119.9795 64.6197 37.0199 177.6611 96 C 3.4851 7.5800 118.7680 59.2988 39.6812 175.4577 97 E 3.6427 7.8744 119.9865 59.3769 29.0290 178.6129 98 C 4.1399 7.9676 116.4111 60.1284 40.8390 176.0103 99 D 3.7836 7.8545 120.2738 56.9391 40.4690 178.4315 100 K 3.6657 8.5252 120.7607 59.5896 32.0426 178.4563 101 A 3.8314 7.7818 120.3555 55.0266 18.2945 179.2542 102 A 3.4754 7.6608 118.8979 55.2788 18.4741 179.7636 103 A 3.7008 8.0199 119.2417 55.2614 18.3659 179.9747 104 I 3.6446 7.5599 118.2629 64.5348 36.8842 177.8118 105 C 4.2097 8.2986 119.7770 59.6915 43.1797 175.7058 106 F 4.5336 7.6262 118.6775 60.4677 38.7911 177.3877 107 R 4.1008 7.8842 118.0622 59.4938 29.7746 178.4697 108 Q 4.2476 8.2403 116.2342 57.7222 28.7029 176.7928 109 N 5.0667 7.5765 115.5145 52.8933 39.3488 176.4389 110 L 4.1684 7.9938 120.8928 57.2659 41.9461 179.1733 111 N 4.3117 8.3551 117.1158 56.1687 38.9823 175.3367 112 T 4.4342 7.5278 105.0771 61.1277 69.5884 173.6347 113 Y 4.0791 7.7829 124.9438 58.1567 38.5270 174.9211 114 S 5.1220 8.4816 121.4535 56.2278 66.0025 175.3801 115 K 4.1533 8.5152 121.0916 58.3668 32.1110 179.0351 116 K 3.9713 7.7619 117.1449 58.7342 32.7960 176.9731 117 Y 4.1501 6.9761 115.9670 57.7876 38.2170 175.1204 118 M 4.5189 7.4392 120.3486 55.8949 32.7301 176.0120 119 L 3.6550 9.0719 122.1484 55.5721 40.0093 174.6075 120 Y 4.1092 8.0113 118.2104 57.0050 39.6492 173.7576 121 P 4.0964 0.0000 0.0000 61.9231 32.4002 176.7286 122 D 4.1013 8.5606 122.1273 57.2410 41.1175 178.1665 *124 F 4.8377 7.8238 110.5318 56.3229 39.5048 175.0763 125 L 4.3319 7.0453 120.0977 54.8490 41.6956 175.6886 126 C 4.8005 7.8956 117.6711 55.1695 41.1166 173.1514 127 K 3.7424 9.0373 127.8485 57.3995 30.2128 179.5669 128 G 3.9828 8.7952 116.2907 45.9812 0.0000 171.5591 129 E 4.8030 8.5545 118.0503 54.3258 30.9011 175.7423 130 L 4.7935 8.4593 124.9459 53.2074 44.8480 175.2824 131 K 4.6904 8.3674 123.6934 54.6989 36.1685 175.2322 *133 C 4.8160 8.5675 113.2930 55.9536 42.9217 173.7099 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 S 8.09 5.20 0.00 4.18 4.17 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 2 L 8.38 4.15 0.00 1.93 1.96 1.31 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.48 4.19 0.00 1.83 1.72 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.28 4.15 0.00 1.83 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 1.89 2.28 0.00 5 F 8.47 4.67 0.00 3.38 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.74 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.72 3.99 0.00 2.12 2.18 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.28 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.76 1.54 7.81 8 M 8.25 4.10 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 1.87 0.00 9 I 7.59 3.56 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 0.00 1.13 0.34 0.66 0.00 0.00 10 L 7.76 4.23 0.00 1.77 1.82 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.90 3.93 0.00 2.24 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 2.40 2.52 0.00 12 E 8.61 4.16 0.00 1.92 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 2.46 2.42 0.00 13 T 8.28 4.32 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 1.26 0.00 0.00 14 G 7.94 3.80 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 0.00 0.00 0.00 *16 K 7.43 4.77 0.00 1.86 1.67 0.00 1.17 0.00 0.00 1.30 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.26 7.81 17 L 8.22 4.27 0.00 1.64 1.61 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.88 4.12 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 19 I 7.37 4.77 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 1.02 0.00 0.00 20 P 0.00 4.80 0.00 2.25 2.37 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 21 S 7.29 4.41 0.00 3.94 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 22 Y 7.97 4.61 0.00 2.79 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 23 S 8.27 4.38 0.00 4.03 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 24 S 7.64 4.91 0.00 3.99 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.10 4.66 0.00 2.96 2.67 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 26 G 8.26 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 27 C 9.37 4.59 0.00 2.93 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 8.39 4.13 0.00 3.30 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 C 8.29 4.60 0.00 3.20 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 30 G 6.99 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 0.00 0.00 0.00 31 W 8.22 4.73 0.00 3.56 3.21 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 0.00 32 G 8.75 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 33 G 7.84 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 0.00 0.00 0.00 34 K 7.57 4.50 0.00 1.60 1.64 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.37 7.81 35 G 8.86 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 36 T 8.17 4.54 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 1.14 0.00 0.00 37 P 0.00 4.50 0.00 1.86 1.93 0.00 3.35 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.54 0.00 38 K 8.58 4.09 0.00 0.88 1.23 0.00 2.04 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 0.86 7.81 39 D 7.39 4.34 0.00 2.70 2.44 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 40 A 8.77 3.99 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 41 T 7.88 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 42 D 8.85 4.49 0.00 2.92 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 43 R 8.36 4.01 0.00 2.04 1.98 0.00 3.15 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 44 C 8.18 4.27 0.00 3.35 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 45 C 8.27 4.38 0.00 3.32 3.31 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 46 F 8.33 3.82 0.00 2.49 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 47 V 8.33 3.25 2.21 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 0.82 0.00 0.00 0.98 0.00 0.00 48 H 8.14 3.85 0.00 3.11 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.43 4.31 0.00 2.90 2.67 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 50 C 7.32 4.23 0.00 2.84 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 7.89 4.14 0.00 3.00 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 52 Y 7.89 4.14 0.00 3.09 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 53 G 7.62 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.87 4.54 0.00 2.64 2.84 0.00 0.00 6.88 7.88 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 55 L 7.15 4.73 0.00 1.46 1.53 0.83 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.21 0.00 2.17 2.09 0.00 3.60 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 2.10 2.20 0.00 *59 D 7.85 4.68 0.00 2.83 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 *61 C 7.92 5.30 0.00 2.94 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 *67 N 7.97 4.70 0.00 2.94 3.00 0.00 0.00 6.71 7.76 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 68 P 0.00 3.99 0.00 1.14 0.67 0.00 3.37 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.65 0.00 69 K 8.22 4.05 0.00 1.88 1.85 0.00 1.68 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.51 7.81 70 S 7.76 4.54 0.00 3.97 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 71 D 7.81 4.36 0.00 2.63 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 72 R 8.69 4.54 0.00 1.80 1.97 0.00 3.23 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 73 Y 7.72 4.98 0.00 3.02 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 74 K 8.60 5.00 0.00 1.76 1.72 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.44 7.81 75 Y 8.25 5.53 0.00 3.12 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 76 K 9.28 4.49 0.00 1.78 1.91 0.00 1.42 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.44 7.81 77 R 8.47 5.81 0.00 1.73 1.90 0.00 3.26 0.00 0.00 3.86 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 78 V 7.84 4.18 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 1.05 0.00 0.00 0.95 0.00 0.00 79 N 9.77 4.28 0.00 2.89 2.86 0.00 0.00 7.18 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 8.32 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 81 A 7.58 4.76 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 82 I 8.26 4.39 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.71 0.00 0.00 83 V 9.22 4.44 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 1.08 0.00 0.00 1.00 0.00 0.00 84 C 8.90 4.88 0.00 2.85 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 85 E 8.84 4.29 0.00 2.04 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 2.41 2.45 0.00 86 K 8.53 4.15 0.00 1.84 1.67 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.54 7.81 *88 G 8.11 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 0.00 0.00 0.00 0.00 89 T 8.25 4.22 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 1.22 0.00 0.00 90 S 8.65 4.05 0.00 3.89 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 91 C 8.13 4.21 0.00 2.99 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 92 E 8.06 3.98 0.00 2.21 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 0.00 2.55 2.42 0.00 93 N 8.28 4.25 0.00 2.91 2.80 0.00 0.00 7.06 7.28 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 94 R 8.08 3.87 0.00 1.90 1.91 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 95 I 8.17 3.59 1.83 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 1.19 0.69 0.94 0.00 0.00 96 C 7.58 3.49 0.00 1.76 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 7.87 3.64 0.00 2.12 1.89 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 2.45 2.42 0.00 98 C 7.97 4.14 0.00 3.26 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 99 D 7.85 3.78 0.00 2.80 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 0.00 100 K 8.53 3.67 0.00 1.68 1.87 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.35 1.37 7.81 101 A 7.78 3.83 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 0.00 102 A 7.66 3.48 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.02 3.70 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 0.00 104 I 7.56 3.64 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.87 0.00 0.00 105 C 8.30 4.21 0.00 2.97 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 0.00 106 F 7.63 4.53 0.00 3.00 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 0.00 107 R 7.88 4.10 0.00 2.00 2.07 0.00 3.10 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 108 Q 8.24 4.25 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 109 N 7.58 5.07 0.00 2.97 2.85 0.00 0.00 6.84 6.62 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 0.00 110 L 7.99 4.17 0.00 1.86 1.72 0.97 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.36 4.31 0.00 2.70 2.89 0.00 0.00 6.90 7.70 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 0.00 112 T 7.53 4.43 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 1.26 0.00 0.00 113 Y 7.78 4.08 0.00 3.12 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 0.00 114 S 8.48 5.12 0.00 3.98 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 0.00 115 K 8.52 4.15 0.00 1.83 1.88 0.00 1.69 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.63 1.52 7.81 116 K 7.76 3.97 0.00 1.54 1.73 0.00 1.19 0.00 0.00 1.50 0.00 0.00 2.57 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.05 0.34 7.81 117 Y 6.98 4.15 0.00 1.77 1.74 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 0.00 118 M 7.44 4.52 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 119 L 9.07 3.66 0.00 1.73 1.73 0.92 0.96 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 0.00 120 Y 8.01 4.11 0.00 2.93 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 0.00 121 P 0.00 4.10 0.00 0.70 1.17 0.00 2.61 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 122 D 8.56 4.10 0.00 2.62 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 F 7.82 4.84 0.00 3.14 3.21 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 0.00 125 L 7.05 4.33 0.00 1.11 1.53 0.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.90 4.80 0.00 3.09 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 0.00 127 K 9.04 3.74 0.00 1.78 1.63 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.43 7.81 128 G 8.80 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 0.00 129 E 8.55 4.80 0.00 1.97 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 0.00 2.24 2.28 0.00 130 L 8.46 4.79 0.00 1.54 1.59 0.85 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.37 4.69 0.00 1.82 1.70 0.00 1.81 0.00 0.00 1.94 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.38 7.81 *133 C 8.57 4.82 0.00 3.03 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.