NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Q 4.2874 8.3331 119.1159 55.3355 29.3066 174.3819 9 G 3.8482 8.3917 108.2708 43.4828 0.0000 169.0930 10 K 4.7338 8.3870 126.9714 57.6963 40.3500 175.3471 11 V 3.7745 7.9530 118.1631 64.5388 31.5844 176.4305 12 T 4.5070 7.7145 116.1347 61.4779 69.7814 173.7748 13 F 4.8993 8.1831 127.4509 56.8141 41.3077 172.7199 14 N 4.1174 6.2951 126.7146 52.8466 42.4827 175.7453 15 N 4.4610 7.2928 113.5248 53.1876 41.6699 174.4707 16 T 3.9898 7.1623 109.3487 61.2081 69.0670 174.5491 17 V 4.2244 8.1215 126.0911 61.3680 33.7844 174.1356 18 V 4.2943 8.1031 126.6752 60.8329 33.4450 174.6334 19 D 4.4783 8.4195 122.6104 53.9629 41.7769 175.2140 20 A 4.7331 8.1387 127.1400 49.6548 21.4550 174.6389 21 P 4.5161 0.0000 0.0000 62.1630 32.4759 176.8633 22 C 4.9922 9.6034 119.2076 57.0670 38.4858 173.4013 23 S 5.0008 8.9637 115.2497 56.5822 65.0471 173.0312 24 I 5.5663 8.6253 119.6604 59.1685 40.1986 174.3972 25 S 4.7002 8.0565 115.6331 57.9418 66.2957 172.7708 26 Q 4.7810 8.4285 120.9343 54.7828 33.1936 177.0000 27 K 3.8755 8.9691 123.2886 58.5053 32.0078 176.0481 28 S 4.3907 7.8813 116.5389 57.2280 62.8190 176.8187 29 A 4.1691 8.6558 128.2536 53.5352 18.3957 177.7066 30 D 4.7041 8.0704 113.8414 52.3365 40.1900 176.7883 31 Q 3.5316 7.9523 116.1417 56.2654 26.5149 172.4819 32 S 4.7976 7.4454 109.9895 56.3837 66.9764 173.8176 33 I 4.3995 7.8681 113.1067 58.9576 39.7755 174.1133 34 D 4.5290 8.4641 124.4437 53.2788 41.8349 175.9366 35 F 4.3171 8.8003 124.4067 57.2432 39.6567 176.8475 36 G 3.9613 7.7527 109.9149 44.1742 0.0000 173.2816 37 Q 4.2361 8.3983 117.1228 55.8634 29.2025 176.2004 38 L 4.7564 8.1315 120.0089 52.7127 45.3849 176.4528 39 S 4.2575 8.7926 119.9978 58.4852 62.4394 175.3126 40 K 4.0580 8.9723 133.2615 58.4651 31.8232 175.9669 41 S 5.0206 7.8442 115.5409 57.4138 62.2752 175.9526 42 F 5.1391 8.1017 126.7264 59.7893 46.6936 176.4352 43 L 3.9869 8.2378 125.3840 58.7715 40.3001 181.0467 44 E 4.1212 7.8147 117.6666 58.9318 29.6546 177.8775 45 A 4.2522 7.5507 118.2673 52.2213 18.7543 177.9177 46 G 3.8217 7.5338 105.6727 44.8136 0.0000 174.8198 47 G 2.6138 7.0632 108.5949 44.9323 0.0000 172.5238 48 V 4.7977 7.8638 119.5430 60.4024 34.2594 175.4545 49 S 4.5989 9.0105 125.0007 58.6555 63.8769 174.7287 50 K 4.3539 8.6344 124.2990 54.6233 32.1664 175.1789 51 P 4.7240 0.0000 0.0000 62.6128 32.1392 175.4308 52 M 4.6256 9.2653 124.5531 53.4414 34.3354 175.2547 53 D 4.6598 8.6900 123.1542 54.4876 41.9527 176.4487 54 L 4.6484 8.9176 126.1087 53.1804 42.3794 172.8844 55 D 5.2881 8.2656 121.2494 52.7353 42.6935 175.5383 56 I 4.3158 8.7399 124.7618 59.3905 39.7748 174.3380 57 E 4.6171 8.9214 129.4666 55.5228 31.0623 175.0729 58 L 5.0472 8.4976 127.2059 53.3863 43.0571 176.0625 59 V 4.4032 8.8259 124.0844 62.0200 34.5288 176.8931 60 N 4.4930 9.0952 119.7889 53.6620 37.4261 173.3488 61 C 4.9576 7.7996 110.9579 53.1410 43.7280 173.0843 62 D 4.5971 8.5931 121.9940 53.9768 39.9255 177.2371 63 I 4.0033 8.4480 126.1070 62.8904 36.0549 174.7025 64 T 4.7716 8.3869 109.3859 64.3910 68.2336 176.0675 65 A 3.9772 7.7574 123.6236 54.3450 18.0092 178.3111 66 F 4.2403 7.8121 116.9251 57.4473 39.7698 177.1527 67 K 4.9575 7.6842 122.0006 54.4425 35.1317 177.9766 68 G 4.3299 7.4779 105.3031 45.0224 0.0000 175.4721 *71 G 3.9395 8.0188 108.1748 44.5291 0.0000 173.5772 72 A 4.6306 7.5485 125.3905 50.0309 21.0140 176.2617 73 K 4.1097 8.0430 121.3188 55.7773 32.5664 176.9204 74 K 4.7707 7.2520 126.1992 54.6539 34.5856 177.5445 75 G 3.9418 8.1539 99.9615 47.1742 0.0000 173.3126 76 T 4.5797 7.7366 113.7030 60.7159 70.3136 174.1340 77 V 4.1268 7.2631 124.2575 61.7917 34.1400 175.1361 78 K 4.3964 8.6123 131.8490 53.8308 33.7363 171.7160 79 L 4.8992 8.0168 125.7027 52.7575 45.1410 174.9603 80 A 4.7558 7.8984 124.0587 51.2356 23.3243 175.0965 81 F 5.2332 8.6835 118.5414 56.3228 42.0802 175.0551 82 T 5.3465 8.3946 117.3255 61.0141 73.0432 173.3289 83 G 4.3124 8.5429 111.4971 45.0100 0.0000 170.6385 84 P 4.4070 0.0000 0.0000 63.1624 31.8885 175.5881 85 I 4.4931 8.2985 125.1720 60.0851 39.5062 175.0161 86 V 4.0551 8.1231 127.0314 61.5940 33.1014 174.9184 87 N 4.2481 8.8965 123.6110 54.8426 38.4646 174.6380 88 G 3.9671 9.0114 111.3635 46.4731 0.0000 174.1023 89 H 4.9147 8.0955 116.9252 54.2820 30.7832 174.4982 90 S 4.4270 8.3783 116.2213 59.7451 63.3934 175.6947 91 D 5.6490 7.9779 119.4744 52.6837 40.4035 175.8283 92 E 4.7191 8.4144 120.3499 54.6205 32.1107 174.8376 93 L 4.0813 8.6798 128.5884 54.3080 43.1489 175.7691 94 D 4.8141 9.0372 126.9106 54.3927 42.1494 175.2301 95 T 4.6289 8.1971 113.6588 60.3098 71.8188 172.7256 96 N 4.8279 9.5026 118.8865 52.3486 41.3564 176.5071 97 G 3.9786 8.7801 108.9353 44.5809 0.0000 174.0056 98 G 4.2034 8.3114 105.4439 46.3143 0.0000 174.9955 99 T 4.1394 7.1329 111.6796 61.8573 67.3689 175.7688 100 G 3.9582 8.2134 108.2414 46.5792 0.0000 173.7399 101 T 4.6976 7.3191 109.5523 60.8502 70.8547 173.2233 102 A 4.6708 8.5524 121.9705 50.6277 23.4367 175.0495 103 I 4.8405 8.5726 119.7334 59.3843 40.8374 175.0844 104 V 4.8685 8.5424 125.9529 61.0844 34.3860 174.0895 105 V 5.0086 8.7900 129.7420 61.8668 34.1061 174.4700 106 Q 5.0540 9.8240 129.3170 53.7598 31.1414 171.8979 107 G 4.0448 9.0145 111.6665 43.1823 0.0000 172.9965 108 A 3.6775 9.4012 131.5681 53.0453 16.0466 176.9444 109 G 4.2900 8.4788 118.6854 46.6435 0.0000 175.1314 110 K 4.2080 7.5579 121.7470 53.7856 32.4764 177.7088 111 N 5.1080 8.3530 117.9636 52.5677 39.9582 175.4681 112 V 3.6905 8.9956 123.3706 62.8335 32.7094 174.8694 113 V 4.6218 8.0379 126.5763 60.9692 33.5934 175.1980 114 F 5.1744 9.5128 125.5942 57.1004 40.1019 176.3061 115 D 4.8471 8.3500 115.7463 53.0958 39.4781 177.4052 116 G 3.9910 8.2070 108.3541 46.0681 0.0000 175.0348 117 S 4.2231 7.8200 114.1906 57.7818 63.5085 173.7534 118 E 4.0697 8.7474 122.9641 57.2327 29.6273 176.2263 119 G 4.2974 8.7633 115.7318 44.6958 0.0000 172.9481 120 D 4.6089 8.9188 122.5148 54.0116 39.9142 176.2806 121 A 4.8023 8.3140 130.4386 49.5301 17.2952 176.0561 122 N 4.9767 8.0001 116.4592 53.1679 43.4515 177.5861 123 T 3.6310 7.5636 108.4151 63.0621 68.7193 173.0796 124 L 4.3560 8.3912 125.1523 53.9408 40.4691 175.9765 125 K 3.9546 8.5915 126.4357 56.9835 32.9537 175.9262 126 D 4.5165 8.5814 125.7064 55.3116 41.5682 176.6549 127 G 4.0119 11.3000 110.7664 45.2277 0.0000 172.7204 128 E 4.6375 7.1059 115.0521 55.6822 32.2995 174.0036 129 N 5.0516 8.5464 113.7945 53.2189 37.4394 174.0328 130 V 4.7496 7.7343 118.5156 62.1564 34.9282 173.9842 131 L 4.5771 8.9539 128.6384 54.3892 43.0590 175.0187 132 H 5.2109 8.3887 123.9563 54.8290 31.2475 173.1642 133 Y 4.9012 8.4743 121.6898 56.4876 42.7338 174.3499 134 T 5.1718 9.0970 115.7823 62.0345 72.9845 173.4051 135 A 5.3269 9.0988 126.1054 50.5597 23.0267 175.3082 136 V 4.9735 8.8471 112.5157 59.9309 36.9808 174.3432 137 V 4.6562 8.8369 122.4080 61.2796 33.9175 174.5825 138 K 4.7076 8.3438 124.3272 55.1503 36.2768 174.7744 139 K 4.0279 8.4533 122.5853 56.6673 32.7012 176.2968 140 S 4.1749 8.5087 122.6508 57.9670 62.9448 174.0175 141 S 4.4562 8.8168 122.8032 58.5264 63.4615 173.9290 142 A 4.3797 7.2087 122.5546 51.6816 19.7175 177.9040 143 V 3.3833 8.5080 115.6729 62.5088 31.6893 175.6802 144 G 3.8035 8.7261 115.1949 45.6944 0.0000 171.4617 145 A 4.6936 7.7419 123.0510 50.3934 22.9342 175.7101 146 A 4.7925 8.1506 122.3330 50.2570 21.6603 176.5492 147 V 4.3790 8.7899 123.2700 62.0986 30.1676 176.1606 148 T 4.2964 7.6821 120.7102 58.8745 67.6770 174.3247 149 E 4.3716 7.2398 123.9180 55.9558 30.7612 178.7373 150 G 4.8733 8.6123 118.6577 45.5447 0.0000 173.1970 151 A 4.4084 7.3029 121.0323 51.1646 21.1862 174.9683 152 F 5.5050 8.0564 115.9595 55.6827 41.5731 173.1240 153 S 4.8549 8.8028 110.5756 58.3581 65.3179 174.5187 154 A 4.9425 8.6054 121.0189 51.1515 22.1162 175.7301 155 V 4.3528 8.4109 118.2826 60.8247 34.1060 174.6866 156 A 5.1034 8.6122 127.8756 50.2797 21.9153 174.8726 157 N 4.7666 9.6991 119.6655 52.1967 40.5413 174.1934 158 F 4.5219 8.8403 126.6363 56.8225 40.3047 174.2862 159 N 4.5882 8.7080 125.4511 51.9059 40.0547 174.3908 160 L 4.5426 8.3460 123.8654 53.2723 44.0342 175.8320 161 T 4.6243 8.4272 121.6121 61.9515 70.7281 173.4399 162 Y 4.9552 8.8257 123.7598 56.1295 40.3359 175.7307 163 Q 4.3037 8.3481 119.8687 56.3952 28.9670 175.2142 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 8 Q 8.33 4.29 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 9 G 8.39 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 10 K 8.39 4.73 0.00 1.70 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.43 7.81 11 V 7.95 3.77 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 0.80 0.00 0.00 0.95 0.00 0.00 12 T 7.71 4.51 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 1.23 0.00 0.00 13 F 8.18 4.90 0.00 2.91 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 14 N 6.30 4.12 0.00 2.61 2.64 0.00 0.00 5.89 8.04 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 15 N 7.29 4.46 0.00 2.56 2.69 0.00 0.00 6.92 7.54 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 16 T 7.16 3.99 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 1.20 0.00 0.00 17 V 8.12 4.22 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 0.82 0.00 0.00 0.96 0.00 0.00 18 V 8.10 4.29 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 0.85 0.00 0.00 0.93 0.00 0.00 19 D 8.42 4.48 0.00 2.69 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 20 A 8.14 4.73 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.52 0.00 1.79 1.18 0.00 3.60 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 22 C 9.60 4.99 0.00 3.10 3.19 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 23 S 8.96 5.00 0.00 3.91 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 24 I 8.63 5.57 1.82 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 1.10 0.89 1.03 0.00 0.00 25 S 8.06 4.70 0.00 3.87 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 26 Q 8.43 4.78 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 27 K 8.97 3.88 0.00 1.77 1.73 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.01 7.81 28 S 7.88 4.39 0.00 3.65 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 29 A 8.66 4.17 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 30 D 8.07 4.70 0.00 2.78 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 31 Q 7.95 3.53 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 32 S 7.45 4.80 0.00 3.89 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 33 I 7.87 4.40 1.57 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.30 0.87 0.00 0.00 34 D 8.46 4.53 0.00 2.56 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 35 F 8.80 4.32 0.00 3.14 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 36 G 7.75 3.96 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 0.00 0.00 0.00 37 Q 8.40 4.24 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 38 L 8.13 4.76 0.00 1.86 1.64 1.18 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.79 4.26 0.00 3.84 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 40 K 8.97 4.06 0.00 1.72 1.80 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.44 1.01 7.81 41 S 7.84 5.02 0.00 3.62 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 42 F 8.10 5.14 0.00 3.01 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 43 L 8.24 3.99 0.00 1.71 1.67 0.92 0.46 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 44 E 7.81 4.12 0.00 1.94 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 0.00 2.30 2.33 0.00 45 A 7.55 4.25 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.53 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 0.00 0.00 0.00 47 G 7.06 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 0.00 0.00 0.00 48 V 7.86 4.80 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 0.93 0.00 0.00 0.87 0.00 0.00 49 S 9.01 4.60 0.00 4.05 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 50 K 8.63 4.35 0.00 1.56 1.65 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.01 7.81 51 P 0.00 4.72 0.00 2.12 2.16 0.00 3.77 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 2.03 2.04 0.00 52 M 9.27 4.63 0.00 1.69 1.77 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.91 0.00 53 D 8.69 4.66 0.00 2.55 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 54 L 8.92 4.65 0.00 1.70 1.59 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.27 5.29 0.00 2.61 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 56 I 8.74 4.32 1.72 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.77 0.56 0.00 0.00 57 E 8.92 4.62 0.00 2.04 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 2.27 2.26 0.00 58 L 8.50 5.05 0.00 1.44 1.55 0.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.83 4.40 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 0.99 0.00 0.00 0.94 0.00 0.00 60 N 9.10 4.49 0.00 2.97 3.01 0.00 0.00 6.81 7.66 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 61 C 7.80 4.96 0.00 3.26 3.42 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 62 D 8.59 4.60 0.00 2.77 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 63 I 8.45 4.00 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.91 0.00 0.00 64 T 8.39 4.77 4.29 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 1.34 0.00 0.00 65 A 7.76 3.98 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 66 F 7.81 4.24 0.00 3.14 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 67 K 7.68 4.96 0.00 1.66 1.72 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.19 0.80 7.81 68 G 7.48 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 *71 G 8.02 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 72 A 7.55 4.63 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 73 K 8.04 4.11 0.00 1.79 1.59 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.00 7.81 74 K 7.25 4.77 0.00 1.75 1.66 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 0.98 7.81 75 G 8.15 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 76 T 7.74 4.58 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 77 V 7.26 4.13 1.13 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 -0.14 0.00 0.00 0.45 0.00 0.00 78 K 8.61 4.40 0.00 1.47 1.65 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.32 1.24 7.81 79 L 8.02 4.90 0.00 1.58 1.50 1.40 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.90 4.76 1.23 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 0.00 0.00 81 F 8.68 5.23 0.00 2.81 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.39 5.35 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 1.28 0.00 0.00 83 G 8.54 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 84 P 0.00 4.41 0.00 2.10 2.23 0.00 3.67 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 2.01 1.95 0.00 85 I 8.30 4.49 1.94 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 1.26 1.02 0.94 0.00 0.00 86 V 8.12 4.06 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 0.89 0.00 0.00 0.98 0.00 0.00 87 N 8.90 4.25 0.00 2.75 2.81 0.00 0.00 6.95 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 88 G 9.01 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 89 H 8.10 4.91 0.00 3.17 3.18 0.00 5.62 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 90 S 8.38 4.43 0.00 4.16 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 91 D 7.98 5.65 0.00 2.82 2.85 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 92 E 8.41 4.72 0.00 2.07 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 0.00 2.15 2.18 0.00 93 L 8.68 4.08 0.00 0.31 1.17 0.40 0.79 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 94 D 9.04 4.81 0.00 2.69 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 95 T 8.20 4.63 4.29 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 0.90 0.00 0.00 96 N 9.50 4.83 0.00 2.78 2.79 0.00 0.00 7.64 8.17 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 97 G 8.78 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 98 G 8.31 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 0.00 0.00 0.00 0.00 99 T 7.13 4.14 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 1.23 0.00 0.00 100 G 8.21 3.96 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 0.00 0.00 0.00 101 T 7.32 4.70 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 1.06 0.00 0.00 102 A 8.55 4.67 1.06 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 0.00 0.00 103 I 8.57 4.84 1.74 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 0.82 0.38 0.99 0.00 0.00 104 V 8.54 4.87 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 0.98 0.00 0.00 0.92 0.00 0.00 105 V 8.79 5.01 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 0.85 0.00 0.00 1.11 0.00 0.00 106 Q 9.82 5.05 0.00 1.66 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 107 G 9.01 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 0.00 108 A 9.40 3.68 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 0.00 109 G 8.48 4.29 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 0.00 110 K 7.56 4.21 0.00 1.70 1.70 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 1.03 7.81 111 N 8.35 5.11 0.00 2.70 2.78 0.00 0.00 6.92 7.68 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 0.00 112 V 9.00 3.69 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 -0.41 0.00 0.00 0.60 0.00 0.00 113 V 8.04 4.62 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 0.95 0.00 0.00 0.93 0.00 0.00 114 F 9.51 5.17 0.00 3.06 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 0.00 115 D 8.35 4.85 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 0.00 116 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 0.00 117 S 7.82 4.22 0.00 4.02 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 0.00 118 E 8.75 4.07 0.00 1.95 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 2.28 2.41 0.00 119 G 8.76 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 0.00 120 D 8.92 4.61 0.00 2.38 2.64 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 0.00 121 A 8.31 4.80 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 0.00 122 N 8.00 4.98 0.00 2.86 3.05 0.00 0.00 5.83 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.56 3.63 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 1.03 0.00 0.00 124 L 8.39 4.36 0.00 1.59 1.65 0.74 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.59 3.95 0.00 1.83 1.95 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.65 1.60 7.81 126 D 8.58 4.52 0.00 2.70 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 0.00 127 G 11.30 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 0.00 128 E 7.11 4.64 0.00 2.10 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 2.39 2.18 0.00 129 N 8.55 5.05 0.00 2.68 2.98 0.00 0.00 5.38 7.68 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 0.00 130 V 7.73 4.75 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 1.03 0.00 0.00 0.91 0.00 0.00 131 L 8.95 4.58 0.00 1.72 1.77 1.15 0.68 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 0.00 132 H 8.39 5.21 0.00 3.08 3.11 0.00 5.89 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 0.00 133 Y 8.47 4.90 0.00 3.12 2.74 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 0.00 134 T 9.10 5.17 4.37 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 1.26 0.00 0.00 135 A 9.10 5.33 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 0.00 136 V 8.85 4.97 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 0.84 0.00 0.00 0.95 0.00 0.00 137 V 8.84 4.66 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 0.42 0.00 0.00 -0.16 0.00 0.00 138 K 8.34 4.71 0.00 1.73 1.74 0.00 1.30 0.00 0.00 1.51 0.00 0.00 2.72 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.21 1.26 7.81 139 K 8.45 4.03 0.00 1.86 1.65 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.59 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81 140 S 8.51 4.17 0.00 4.00 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 0.00 141 S 8.82 4.46 0.00 3.90 3.81 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 0.00 142 A 7.21 4.38 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.51 3.38 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 144 G 8.73 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 0.00 145 A 7.74 4.69 1.21 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 0.00 0.00 146 A 8.15 4.79 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 0.00 147 V 8.79 4.38 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 0.97 0.00 0.00 0.85 0.00 0.00 148 T 7.68 4.30 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 1.26 0.00 0.00 149 E 7.24 4.37 0.00 2.01 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 2.37 2.47 0.00 150 G 8.61 4.87 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 0.00 151 A 7.30 4.41 1.21 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 0.00 0.00 152 F 8.06 5.51 0.00 3.10 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 0.00 153 S 8.80 4.85 0.00 3.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 8.61 4.94 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 0.00 155 V 8.41 4.35 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 0.91 0.00 0.00 0.97 0.00 0.00 156 A 8.61 5.10 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 0.00 157 N 9.70 4.77 0.00 2.81 2.78 0.00 0.00 6.41 8.79 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 0.00 158 F 8.84 4.52 0.00 2.79 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 0.00 159 N 8.71 4.59 0.00 2.49 2.57 0.00 0.00 6.51 6.81 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 0.00 160 L 8.35 4.54 0.00 1.55 1.37 1.24 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.43 4.62 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 162 Y 8.83 4.96 0.00 2.77 2.85 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 0.00 163 Q 8.35 4.30 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.