NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4790 8.4345 117.0993 58.2761 63.9200 173.5035 10 D 5.0180 8.2312 113.2305 51.7524 41.9115 172.5321 11 K 4.0478 8.8097 120.7879 56.4061 33.8761 173.9403 12 P 4.8260 0.0000 0.0000 63.0761 32.3002 175.5951 13 V 5.0375 8.6684 123.1019 60.5007 35.3504 173.7011 14 A 4.8456 8.6933 122.7403 51.4998 23.3098 175.4081 15 H 4.8760 9.5510 121.8311 55.7033 32.0993 172.4512 16 V 4.9190 9.1484 119.1264 59.6177 34.3631 175.3102 17 V 5.4058 8.8164 115.8170 59.2784 35.6652 174.7926 18 A 4.1791 8.2068 123.3473 51.6618 19.0643 177.0677 19 N 4.4549 9.1029 122.7624 52.4525 39.6120 173.8696 20 P 5.0736 0.0000 0.0000 64.1359 31.2477 176.6051 21 Q 4.2272 8.3335 120.8104 57.4555 29.7372 175.9952 22 A 3.8475 7.8843 122.8767 53.4258 18.6216 179.1836 23 E 4.2924 8.6876 120.3983 56.1283 27.9187 173.3679 24 G 4.0970 8.6549 118.8638 46.3509 0.0000 171.8459 25 Q 4.4390 7.5609 113.7949 53.0920 32.3448 176.2769 26 L 3.6175 8.1065 122.4442 54.0945 41.8876 176.1985 27 Q 4.3972 7.4997 128.1248 53.5907 31.2905 174.2636 28 W 4.9557 9.2151 127.6559 56.9787 29.8316 175.9890 29 S 4.9613 10.0439 118.6208 56.7641 65.4988 173.8770 30 N 4.9028 9.0044 119.9445 52.6636 39.1774 174.9508 31 R 4.3559 7.6128 117.5879 54.8013 28.8268 175.1720 32 R 4.6073 7.2746 115.8039 55.0992 33.8426 173.7818 33 A 4.1022 8.4886 124.0606 53.4855 18.9016 176.8670 34 N 4.1626 8.7114 115.2205 54.6023 36.3997 174.1644 35 A 5.1252 7.9579 116.6996 50.2200 22.3200 176.5738 36 L 4.7962 8.4509 119.5721 53.1433 46.4929 175.8747 37 L 4.9159 8.2853 116.8807 54.9570 44.1660 172.6127 38 A 4.5182 9.2217 127.8579 49.9221 23.2183 174.7271 39 N 4.1819 9.7042 113.7540 54.2090 35.8146 174.1192 40 G 4.0891 8.0877 105.8273 45.3497 0.0000 173.1827 41 V 3.9347 7.4413 118.6092 63.0494 32.0727 175.3990 42 E 4.7284 8.6909 126.1578 54.4923 33.7985 175.0118 43 L 4.6128 8.4357 124.4110 54.9862 42.3820 175.7758 44 R 3.9834 9.3064 131.7224 57.6613 27.3915 178.9717 45 D 4.5939 9.1084 116.9854 53.3116 39.9723 175.9240 46 N 4.3537 8.1947 112.5284 54.2993 38.1190 173.1091 47 Q 4.9084 7.4764 111.0331 53.6692 33.6920 174.1548 48 L 4.7841 8.5699 121.7620 53.9873 43.6515 175.8809 49 V 4.6585 8.4367 123.4293 60.9123 33.8658 174.7881 50 V 3.7985 8.3261 129.4826 62.1667 31.8139 174.9701 51 P 4.6246 0.0000 0.0000 64.1498 31.9727 175.3118 52 I 4.6748 7.2708 117.3157 59.2984 41.1543 173.6365 53 E 4.3903 8.7418 123.2321 55.2793 30.0696 177.1674 54 G 3.9980 8.1202 111.5853 45.0199 0.0000 170.8530 55 L 4.9257 7.3780 119.3406 54.0796 43.1750 176.4834 56 F 5.3390 9.6073 121.9180 55.6230 43.5302 173.5662 57 L 4.8932 9.2191 126.3814 54.7466 43.1137 175.4607 58 I 5.2085 9.1310 127.5029 60.0394 40.9475 174.1228 59 Y 5.2836 8.1132 121.5511 56.7680 41.7951 173.1595 60 S 4.9090 8.8114 112.9295 57.8359 66.5972 173.6366 61 Q 5.4511 8.1765 125.0397 54.2211 32.7605 173.8579 62 V 4.6809 8.1419 116.8834 59.4612 36.8573 173.8356 63 L 5.1640 8.0164 123.4828 53.5073 45.1487 175.2655 64 F 5.4741 9.3666 125.0780 56.3921 41.7306 174.6822 65 K 4.5370 8.3555 121.2755 56.0387 35.5229 174.7787 66 G 3.4648 6.0083 111.1438 45.3201 0.0000 171.7184 67 Q 4.6185 8.0991 118.1403 54.7345 31.3816 174.0653 68 G 4.1537 8.8323 116.4284 45.7939 0.0000 173.1165 69 C 4.5978 8.3586 120.8733 56.9493 27.7007 170.5419 70 P 4.3662 0.0000 0.0000 62.8692 31.7279 177.1806 71 S 3.3820 7.8642 116.0762 59.1587 61.7896 172.7404 72 T 2.9889 8.2298 111.4368 63.9950 68.8125 171.6697 73 H 4.7850 8.2917 118.3459 54.0494 30.1510 173.9243 74 V 3.9752 8.0832 124.4440 61.9809 32.3535 174.9922 75 L 4.8004 8.1696 125.0809 52.8923 44.5938 175.5774 76 L 4.5727 8.6264 124.4435 53.2728 43.6571 175.8348 77 T 5.2127 9.1443 113.5590 60.4014 72.7763 172.4090 78 H 5.6046 8.7823 121.3155 55.3854 33.7135 172.2547 79 T 5.0093 9.1159 115.0532 60.2409 72.7773 172.5796 80 I 4.7121 8.9159 124.6134 59.9445 39.6473 174.8398 81 S 5.0452 8.8234 123.2439 56.7943 66.2311 173.1492 82 R 4.8659 9.0432 123.2427 54.9513 32.7757 175.2770 83 I 5.0734 8.7297 124.8244 58.0135 39.5884 174.8997 84 A 4.7235 8.3692 128.6706 51.6374 19.1745 174.7952 85 V 3.3125 8.8196 117.4771 61.4819 31.3661 172.6273 86 S 5.6200 8.3352 135.0000 60.2298 64.2577 172.5381 *87 Y 3.2969 8.1893 128.2975 56.8575 32.7846 168.6392 88 Q 4.5023 7.5887 120.8340 54.2046 31.7575 173.1878 89 T 4.6671 7.3931 108.4272 60.8016 71.7206 172.3488 90 K 4.7439 8.6035 129.1970 55.3477 33.2382 175.9433 91 V 4.5170 8.5943 127.2609 59.6860 34.4881 174.6773 92 N 4.7332 8.8242 122.0424 53.6214 38.5290 174.6914 93 L 4.3815 9.3015 125.0446 56.3087 43.1163 177.3135 94 L 4.9286 7.4898 116.7834 53.3325 46.1661 175.4636 95 S 5.0876 8.5697 115.2221 57.4597 65.5777 172.8142 96 A 4.8594 9.0605 125.7160 50.8324 22.9468 175.1491 97 I 5.0207 8.2354 118.9858 59.5240 41.1444 174.8002 98 K 4.7305 9.2002 126.3213 54.6375 36.3776 175.3249 99 S 4.8140 8.3341 118.3308 56.0214 64.2797 171.9449 100 P 3.8300 0.0000 0.0000 63.6311 31.5074 175.9610 101 C 4.3755 7.2462 116.0111 57.9566 28.6782 172.8935 102 Q 3.9640 8.4262 128.6792 57.8172 29.2708 176.2141 103 R 4.6545 7.3344 115.9765 55.2816 33.5044 179.4670 104 E 4.7737 8.1970 107.4240 56.8979 31.4321 175.6392 105 T 4.7063 8.3173 115.3364 58.3480 71.2902 172.8031 106 P 4.5262 0.0000 0.0000 63.3205 33.3619 178.1160 107 E 3.6742 8.9423 115.5444 57.1750 28.2537 175.9174 108 G 4.0089 9.7975 105.1632 48.1832 0.0000 175.1051 109 A 3.7108 7.7741 121.6855 53.4748 16.9045 177.2043 110 E 4.6647 8.6235 107.2404 57.2820 34.7566 169.0835 111 A 3.7838 10.4879 124.7236 54.0140 17.1853 178.5248 112 K 4.4124 8.0981 120.2766 55.8538 34.7018 173.1830 113 P 4.7424 0.0000 0.0000 62.3485 32.1278 175.6931 114 W 5.1432 8.6476 120.2444 54.9131 31.3939 173.8626 115 Y 5.4430 8.9728 118.3697 56.5956 41.2644 175.1163 116 E 4.8106 9.5620 123.2349 54.7149 33.5187 173.3317 117 P 5.2642 0.0000 0.0000 62.2358 33.8677 175.5522 118 I 4.7185 8.6554 120.2171 60.2654 41.5306 173.5417 119 Y 5.1046 8.8948 128.1841 55.6665 41.2134 174.5295 120 L 4.8328 8.2414 126.0196 52.9439 45.3003 175.7888 121 G 4.5673 8.5038 108.6448 45.5544 0.0000 172.2165 122 G 4.3122 9.1856 109.8808 45.7631 0.0000 171.9091 123 V 5.0706 8.1237 119.8737 61.1082 33.2622 174.7804 124 F 4.9692 9.4892 125.7366 55.7697 43.8138 173.3155 125 Q 4.9850 8.9062 122.7169 55.4666 29.8114 174.8295 126 L 5.0132 9.5447 125.9422 53.1012 46.2502 175.4399 127 E 4.8471 9.0362 120.8870 54.2987 32.1130 175.6866 128 K 4.0110 8.2052 123.7173 58.8777 32.3080 176.8129 129 G 4.0803 9.1862 115.1434 45.3191 0.0000 173.5249 130 D 4.6554 8.2047 120.0705 54.8005 42.2449 175.6212 131 R 5.0852 8.9926 120.6403 54.5214 33.1030 175.0815 132 L 5.1904 8.9556 123.0196 52.9758 44.7924 175.2542 133 S 5.0184 8.9362 118.2907 56.3358 65.1859 172.6471 134 A 4.6637 8.3673 127.4175 50.1894 20.6716 174.7285 135 E 4.9634 9.3018 120.8614 55.3044 34.1652 175.1964 136 I 5.5948 8.6525 114.3465 58.5652 40.4312 174.6314 137 N 4.6704 8.3355 120.1350 53.4370 38.6404 175.8327 138 R 4.7879 7.8875 118.7341 53.5709 30.0375 173.8215 139 P 4.6120 0.0000 0.0000 63.7504 31.9077 178.4212 140 D 4.5061 7.9447 117.9571 54.9880 40.0056 176.1041 141 Y 4.7373 8.1094 117.3517 57.8516 39.6913 175.7669 142 L 4.2939 7.6721 119.3126 55.0766 42.3622 177.1998 143 D 4.6665 8.6051 123.6341 51.5949 40.4670 175.3705 144 F 4.9033 7.1560 116.7024 55.9425 38.9448 178.1367 145 A 3.9452 7.8385 128.8929 55.7563 18.2467 179.0523 146 E 4.8613 7.7267 109.8178 53.5023 33.4699 177.4184 147 S 4.4615 8.4037 113.9048 60.9104 63.2968 175.5815 148 G 4.1464 8.9853 111.3115 45.9799 0.0000 174.4082 149 Q 4.3123 7.6555 118.5501 57.5877 29.2486 176.3373 150 V 4.7932 7.8666 117.7688 61.2696 34.8103 173.8990 151 Y 5.5385 9.0338 125.0376 56.3502 42.1451 173.4745 152 F 5.1345 9.0225 121.8871 57.0609 43.1250 173.2032 153 G 3.9340 7.7429 111.0175 45.2553 0.0000 171.9027 154 I 5.7968 7.9993 113.1418 58.6519 41.7446 174.0314 155 I 5.0956 8.2681 122.3161 59.7360 41.4650 173.4238 156 A 3.7845 8.5911 134.3669 52.1540 18.9119 178.0820 *157 L 4.0028 7.9624 122.0516 54.4488 41.7271 173.8460 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 9 S 8.43 4.48 0.00 3.65 3.75 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 10 D 8.23 5.02 0.00 2.72 2.53 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 11 K 8.81 4.05 0.00 1.70 1.76 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.44 7.81 12 P 0.00 4.83 0.00 2.28 2.12 0.00 3.63 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 13 V 8.67 5.04 2.11 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 0.80 0.00 0.00 0.98 0.00 0.00 14 A 8.69 4.85 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 9.55 4.88 0.00 3.28 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.15 4.92 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 0.64 0.00 0.00 0.80 0.00 0.00 17 V 8.82 5.41 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 1.01 0.00 0.00 1.06 0.00 0.00 18 A 8.21 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.10 4.45 0.00 2.75 2.63 0.00 0.00 6.98 7.67 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 20 P 0.00 5.07 0.00 2.34 2.50 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 21 Q 8.33 4.23 0.00 2.02 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 22 A 7.88 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.69 4.29 0.00 2.00 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 2.23 1.87 0.00 24 G 8.65 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.56 4.44 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 2.18 1.91 0.00 26 L 8.11 3.62 0.00 1.24 1.32 -0.43 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.50 4.40 0.00 1.91 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 28 W 9.22 4.96 0.00 3.21 3.10 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 0.00 0.00 0.00 29 S 10.04 4.96 0.00 3.82 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.00 4.90 0.00 2.86 2.90 0.00 0.00 6.10 7.67 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 31 R 7.61 4.36 0.00 1.98 2.04 0.00 3.07 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 32 R 7.27 4.61 0.00 1.77 1.85 0.00 3.34 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 33 A 8.49 4.10 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 34 N 8.71 4.16 0.00 2.86 2.85 0.00 0.00 6.71 7.36 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 35 A 7.96 5.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.45 4.80 0.00 1.61 1.53 0.93 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.29 4.92 0.00 1.56 1.54 0.90 0.96 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 38 A 9.22 4.52 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 9.70 4.18 0.00 3.02 2.90 0.00 0.00 7.22 8.06 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 40 G 8.09 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 41 V 7.44 3.93 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 0.72 0.00 0.00 0.95 0.00 0.00 42 E 8.69 4.73 0.00 1.83 1.76 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 2.19 2.41 0.00 43 L 8.44 4.61 0.00 1.65 1.63 0.98 1.01 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 44 R 9.31 3.98 0.00 1.75 1.46 0.00 3.34 0.00 0.00 3.21 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 45 D 9.11 4.59 0.00 2.79 2.61 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 46 N 8.19 4.35 0.00 2.88 2.98 0.00 0.00 7.11 7.05 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 47 Q 7.48 4.91 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 48 L 8.57 4.78 0.00 1.32 1.29 -0.20 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.44 4.66 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 0.89 0.00 0.00 0.90 0.00 0.00 50 V 8.33 3.80 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 0.46 0.00 0.00 0.31 0.00 0.00 51 P 0.00 4.62 0.00 2.25 2.27 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 52 I 7.27 4.67 1.94 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 1.48 0.83 1.08 0.00 0.00 53 E 8.74 4.39 0.00 2.03 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 2.35 2.42 0.00 54 G 8.12 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 0.00 0.00 0.00 0.00 55 L 7.38 4.93 0.00 1.51 1.56 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.61 5.34 0.00 2.95 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 57 L 9.22 4.89 0.00 1.87 1.70 1.13 0.99 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 58 I 9.13 5.21 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.04 0.88 0.00 0.00 59 Y 8.11 5.28 0.00 3.18 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 60 S 8.81 4.91 0.00 3.69 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 61 Q 8.18 5.45 0.00 2.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 62 V 8.14 4.68 1.52 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 0.46 0.00 0.00 0.55 0.00 0.00 63 L 8.02 5.16 0.00 1.76 1.47 1.16 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.37 5.47 0.00 3.47 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 65 K 8.36 4.54 0.00 1.19 1.31 0.00 1.60 0.00 0.00 1.32 0.00 0.00 2.72 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.74 0.21 7.81 66 G 6.01 3.46 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 0.00 67 Q 8.10 4.62 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 5.60 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 68 G 8.83 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.36 4.60 0.00 3.00 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 70 P 0.00 4.37 0.00 2.10 2.12 0.00 3.97 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 71 S 7.86 3.38 0.00 4.01 3.77 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 72 T 8.23 2.99 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 73 H 8.29 4.79 0.00 3.07 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.08 3.98 1.83 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 0.69 0.00 0.00 0.98 0.00 0.00 75 L 8.17 4.80 0.00 1.45 1.44 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.63 4.57 0.00 1.09 0.54 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.14 5.21 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 1.19 0.00 0.00 78 H 8.78 5.60 0.00 3.37 3.22 0.00 5.57 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 79 T 9.12 5.01 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 1.20 0.00 0.00 80 I 8.92 4.71 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.74 0.80 0.00 0.00 81 S 8.82 5.05 0.00 3.68 3.73 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 82 R 9.04 4.87 0.00 1.67 1.67 0.00 2.98 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 83 I 8.73 5.07 1.84 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 1.09 1.19 0.89 0.00 0.00 84 A 8.37 4.72 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.82 3.31 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 0.79 0.00 0.00 0.93 0.00 0.00 86 S 8.34 5.62 0.00 3.97 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 *87 Y 8.19 3.30 0.00 2.51 2.27 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 88 Q 7.59 4.50 0.00 2.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 89 T 7.39 4.67 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 1.20 0.00 0.00 90 K 8.60 4.74 0.00 1.77 1.68 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.46 7.81 91 V 8.59 4.52 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 0.78 0.00 0.00 0.92 0.00 0.00 92 N 8.82 4.73 0.00 2.62 2.77 0.00 0.00 6.97 7.83 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 93 L 9.30 4.38 0.00 1.00 0.78 0.01 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.49 4.93 0.00 1.51 1.52 0.97 1.00 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 95 S 8.57 5.09 0.00 3.82 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 96 A 9.06 4.86 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 97 I 8.24 5.02 1.85 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 1.22 0.71 0.91 0.00 0.00 98 K 9.20 4.73 0.00 1.73 1.45 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.33 7.81 99 S 8.33 4.81 0.00 3.67 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.83 0.00 0.49 0.91 0.00 3.48 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.79 0.00 101 C 7.25 4.38 0.00 2.80 2.82 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 0.00 102 Q 8.43 3.96 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 103 R 7.33 4.65 0.00 1.80 1.61 0.00 3.36 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 104 E 8.20 4.77 0.00 1.91 1.73 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 2.03 1.76 0.00 105 T 8.32 4.71 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 1.22 0.00 0.00 106 P 0.00 4.53 0.00 2.20 2.08 0.00 3.91 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 1.95 1.95 0.00 107 E 8.94 3.67 0.00 2.08 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 2.21 1.86 0.00 108 G 9.80 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.77 3.71 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 0.00 110 E 8.62 4.66 0.00 2.01 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 1.98 1.64 0.00 111 A 10.49 3.78 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 0.00 112 K 8.10 4.41 0.00 1.92 1.97 0.00 1.50 0.00 0.00 1.97 0.00 0.00 3.05 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.51 7.81 113 P 0.00 4.74 0.00 2.02 2.02 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 114 W 8.65 5.14 0.00 3.31 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 0.00 115 Y 8.97 5.44 0.00 2.93 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 0.00 116 E 9.56 4.81 0.00 2.20 1.98 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 2.47 2.25 0.00 117 P 0.00 5.26 0.00 2.20 2.18 0.00 3.89 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 118 I 8.66 4.72 2.05 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.10 1.05 0.00 0.00 119 Y 8.89 5.10 0.00 3.05 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 0.00 120 L 8.24 4.83 0.00 1.56 1.38 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.50 4.57 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 0.00 122 G 9.19 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 0.00 123 V 8.12 5.07 1.98 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 0.84 0.00 0.00 0.95 0.00 0.00 124 F 9.49 4.97 0.00 3.07 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 0.00 125 Q 8.91 4.98 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 126 L 9.54 5.01 0.00 1.47 1.35 0.54 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.04 4.85 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 128 K 8.21 4.01 0.00 1.75 1.77 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.59 7.81 129 G 9.19 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 0.00 0.00 0.00 130 D 8.20 4.66 0.00 2.51 2.52 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 0.00 131 R 8.99 5.09 0.00 1.63 1.78 0.00 3.19 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 132 L 8.96 5.19 0.00 1.50 1.72 0.68 0.46 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 0.00 133 S 8.94 5.02 0.00 3.85 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 0.00 134 A 8.37 4.66 -0.12 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 0.00 0.00 135 E 9.30 4.96 0.00 1.87 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 2.23 2.23 0.00 136 I 8.65 5.59 2.38 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.93 1.01 0.00 0.00 137 N 8.34 4.67 0.00 2.81 3.00 0.00 0.00 6.75 7.78 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 0.00 138 R 7.89 4.79 0.00 2.12 2.16 0.00 3.37 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 139 P 0.00 4.61 0.00 2.23 2.29 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 140 D 7.94 4.51 0.00 2.55 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 0.00 141 Y 8.11 4.74 0.00 3.47 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 0.00 142 L 7.67 4.29 0.00 1.91 1.83 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.61 4.67 0.00 2.59 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 0.00 144 F 7.16 4.90 0.00 3.09 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 0.00 145 A 7.84 3.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.73 4.86 0.00 1.86 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 2.19 1.85 0.00 147 S 8.40 4.46 0.00 3.90 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 0.00 148 G 8.99 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.66 4.31 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 150 V 7.87 4.79 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 0.92 0.00 0.00 0.95 0.00 0.00 151 Y 9.03 5.54 0.00 2.95 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 0.00 152 F 9.02 5.13 0.00 1.51 1.47 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 0.00 153 G 7.74 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 0.00 154 I 8.00 5.80 1.85 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.02 0.54 0.00 0.00 155 I 8.27 5.10 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.53 1.05 0.00 0.00 156 A 8.59 3.78 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *157 L 7.96 4.00 0.00 1.36 1.45 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.