NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7582 8.3544 109.7356 45.3454 0.0000 176.6433 *2 S 4.1932 8.6877 116.7554 58.0237 62.7400 173.1804 3 V 4.0635 8.2080 117.9029 61.1319 31.9672 176.3287 4 K 3.8727 7.6861 122.2149 56.3275 32.2477 176.4489 5 V 3.7892 8.4446 126.9255 62.7613 32.3132 175.5853 6 S 4.8596 8.3371 121.3946 56.0814 67.0687 175.2420 7 V 3.6287 8.3678 122.2666 65.9567 31.1414 178.0813 8 D 4.2871 7.9907 117.5320 57.6596 41.3195 177.7754 9 D 4.6459 8.0854 118.7624 57.1495 40.8503 178.8313 10 I 3.5853 7.6697 120.5617 64.3400 36.9824 178.0322 11 D 4.4976 8.0601 119.4492 56.8947 40.3895 179.0839 12 G 3.6974 8.1119 106.4006 47.6215 0.0000 175.7762 13 I 3.7092 7.5407 121.8817 64.0795 37.1527 178.4979 14 T 3.8317 7.7214 116.7198 66.2922 68.0555 176.4764 15 E 3.9045 8.3559 121.8086 59.2659 29.6122 179.3177 16 V 3.6368 7.4313 117.9563 64.6862 31.2694 178.3584 17 L 3.8302 7.5831 118.8786 57.4059 41.4847 178.7953 18 N 4.4955 8.0489 115.8691 55.7256 38.6817 177.4155 19 V 3.7765 7.4245 120.2223 65.9817 31.6054 177.7787 20 Y 4.0500 7.4690 115.6314 58.7248 38.2462 176.8777 *22 N 4.5169 8.1268 117.5175 52.8249 40.8442 176.6706 23 A 3.9707 7.9195 119.5496 54.7578 18.2122 179.4688 24 A 3.5287 7.5461 119.5168 55.2344 18.0617 179.4789 25 E 3.9726 7.5591 116.0294 58.5694 29.8828 177.9034 26 S 4.5200 7.9968 110.5451 58.0607 63.9693 173.1078 27 G 4.1700 8.0566 109.5228 44.5434 0.0000 172.5585 28 T 4.5228 8.1557 109.7023 59.5264 70.7293 175.3844 29 G 4.0335 8.9347 110.3483 48.3043 0.0000 175.2047 30 E 3.9250 8.1743 118.5635 59.2120 29.3603 178.7341 31 E 4.1880 7.9662 118.7564 56.4443 28.9330 178.6521 *33 S 4.4723 8.4096 113.0575 57.9758 64.7311 174.9721 34 A 4.0638 7.6507 122.9393 54.0610 18.3717 177.7340 35 A 4.5328 8.0678 117.5301 51.5738 19.8162 175.9986 36 F 5.4308 7.9895 115.1435 55.3676 42.1757 174.9759 37 H 4.3204 9.1246 124.9525 56.0907 30.1886 176.3521 38 K 4.2125 8.3610 122.7801 59.1802 32.6091 177.3935 39 D 4.9464 8.3177 117.8106 53.7966 41.4442 175.7855 40 A 5.2507 8.0718 120.8946 52.0936 19.4789 177.4179 41 T 4.8767 8.3829 108.1949 60.2485 73.3182 172.6495 42 I 5.5547 8.1051 121.3218 59.8416 41.6785 173.3956 43 F 5.2403 8.9598 127.2767 55.2295 42.9865 174.4521 44 G 3.2936 7.7688 109.5591 46.0860 0.0000 171.4870 45 Y 4.9552 8.0392 119.2568 56.3807 39.8835 176.1725 46 V 4.2637 8.9165 122.6146 61.6478 33.1123 176.0471 47 G 4.1365 8.4721 121.5035 47.0849 0.0000 173.7807 48 D 4.5208 8.8630 124.9540 53.8235 40.4714 175.4435 49 K 4.5946 7.6373 119.6964 54.2466 32.8891 181.8085 50 L 3.7472 8.1568 125.8931 52.6130 40.4344 175.8364 51 A 3.8477 8.0707 125.8843 53.3717 19.1931 178.1652 52 F 4.6301 8.0708 114.9430 55.7591 41.0439 175.4072 53 N 4.9592 9.0178 124.0146 51.2641 37.7965 173.8436 54 G 2.9017 6.8149 111.9413 45.7403 0.0000 172.8518 55 P 4.3403 0.0000 0.0000 61.7926 31.8289 177.5804 56 I 3.4231 8.2202 123.3478 63.2522 37.8741 177.5115 57 K 3.9792 7.8850 120.1787 59.5329 31.8730 178.0751 58 D 4.4723 7.8780 118.6473 56.6919 40.7507 178.3222 59 L 4.1555 7.6391 121.4337 58.2310 41.5144 178.4388 60 Y 4.5876 7.4841 116.2366 60.9216 37.9193 177.6989 61 D 4.4962 8.3803 120.2145 57.1615 40.9739 178.5714 62 W 4.2159 8.3067 128.7106 60.6684 30.7045 177.4179 63 H 3.9747 8.7156 117.7649 58.5568 29.0807 176.9882 64 N 4.3846 7.9990 117.5297 56.2097 38.6360 177.1379 65 S 4.1810 7.7630 115.7046 61.5393 63.1441 175.6823 66 N 4.2192 7.5165 118.9494 54.3990 38.7942 176.0312 67 G 3.8727 7.0785 103.0454 44.0483 0.0000 171.0285 68 P 4.3110 0.0000 0.0000 62.7312 32.0063 177.3677 69 A 4.4512 8.2639 128.1885 50.4625 17.6248 178.4010 70 K 3.9729 8.0753 122.2757 56.3356 32.2056 178.1436 71 N 4.9526 7.8689 112.4147 53.4411 39.0468 174.7481 72 V 4.2764 7.6623 119.0708 61.6365 32.8490 175.8445 73 Q 4.5812 9.1455 122.8282 54.5899 30.9262 174.4371 74 S 5.4704 8.6829 120.2816 56.8060 65.4345 174.2283 75 R 4.7095 9.0109 122.4920 54.3349 33.9960 174.6246 76 I 4.5062 8.6476 125.3918 61.6891 37.1935 175.8083 77 T 4.5983 8.9187 116.4778 61.8410 71.0837 173.9566 78 N 5.0230 7.9140 119.8577 52.2435 42.8972 173.5294 79 I 4.7017 8.2704 125.3270 60.2004 40.4806 174.2376 80 D 4.7480 9.3470 129.4056 52.7030 42.1099 174.8409 81 I 4.6706 8.1110 126.3157 59.6939 39.2534 177.1721 82 V 4.4304 8.5019 123.8146 60.1227 31.5831 173.4913 83 G 3.8860 8.2008 117.5360 45.3074 0.0000 171.1086 84 T 4.3873 8.0142 109.1248 60.5655 71.7925 174.4293 85 V 5.3745 7.8668 114.5377 60.1551 36.4670 173.8445 86 A 5.1118 8.9317 122.5212 51.4705 23.3229 174.5529 87 H 5.4894 9.2593 118.1652 54.5943 33.4673 172.2349 88 A 5.6248 8.5745 124.3118 49.6725 23.0951 174.8477 89 R 5.1995 8.5386 119.2979 54.5639 33.8164 174.4258 90 V 5.0434 8.9378 124.0657 61.2778 35.5953 173.6935 91 E 5.2889 9.4925 126.5788 54.6677 31.9422 174.6232 92 A 5.4369 9.1085 126.5714 50.2794 22.0418 174.9448 93 E 4.8521 8.7312 120.5363 54.9140 33.8192 175.5963 94 N 4.2820 9.0154 119.1572 54.3098 37.7143 175.1735 95 W 4.3634 8.3587 127.7579 57.8916 29.2324 175.4509 96 T 3.2589 9.2259 119.3311 62.4771 67.0722 172.7856 97 N 4.3494 8.1565 110.9696 55.0203 37.0592 174.5593 98 F 5.2162 7.6940 116.2803 55.5648 42.9119 174.3962 99 K 5.0052 8.2360 120.9801 54.8613 34.9299 174.7807 100 F 5.7030 9.3867 125.9375 55.8874 43.0174 174.5500 101 S 5.2633 9.1557 117.3255 57.1407 65.6426 172.7269 102 D 5.2151 9.2685 125.7090 52.5126 43.1226 175.3841 103 L 4.9911 8.5858 123.9311 52.9655 44.2439 175.5627 104 F 5.5620 9.2540 122.4305 55.6275 42.8081 174.0957 105 L 5.3290 8.9051 121.6219 53.0987 44.3557 175.6685 106 L 5.3847 9.0904 123.1261 52.8907 45.8264 175.1694 107 L 5.0780 8.9941 122.6936 53.2435 45.2969 175.7475 108 K 3.4158 8.3230 128.6520 55.7728 31.2875 174.9972 109 L 4.1468 8.7308 128.8668 54.1506 41.9520 176.4729 110 D 4.1984 9.5224 128.2249 55.4451 38.1742 175.2872 111 G 3.8111 8.4982 108.9112 45.5018 0.0000 174.3527 112 K 4.6386 7.4722 123.6947 52.8104 34.7533 181.5023 113 W 4.7762 8.8641 125.3041 56.4346 29.9991 175.5524 114 T 4.6592 8.6158 115.8914 60.9270 71.0802 172.4996 115 I 4.2041 8.4117 128.8246 61.5507 37.7839 176.9167 116 V 4.2214 9.1299 120.4756 62.2165 33.9133 175.8142 117 N 5.5563 8.2031 116.0705 51.3092 43.0528 173.6211 118 K 5.0882 8.8445 121.8521 55.0593 36.1978 175.3778 119 V 5.6562 8.7274 118.5287 59.0115 36.3792 174.0850 120 F 5.3941 7.9594 116.2933 55.8303 41.5533 172.8478 121 H 4.8041 9.2698 118.8570 54.2717 32.7632 171.8863 122 L 4.8560 8.5232 128.0914 54.0579 42.5490 175.6827 123 H 4.3819 8.6949 124.8948 55.3321 29.3707 175.9156 124 A 4.1503 8.6293 124.7569 52.5689 18.2284 177.0737 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 0 G 8.35 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 *2 S 8.69 4.19 0.00 3.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.21 4.06 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 0.77 0.00 0.00 0.95 0.00 0.00 4 K 7.69 3.87 0.00 1.77 1.76 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.40 7.81 5 V 8.44 3.79 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.94 0.00 0.00 6 S 8.34 4.86 0.00 4.07 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 7 V 8.37 3.63 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 1.02 0.00 0.00 0.93 0.00 0.00 8 D 7.99 4.29 0.00 2.86 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 9 D 8.09 4.65 0.00 2.84 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 10 I 7.67 3.59 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.85 0.00 0.00 11 D 8.06 4.50 0.00 2.82 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 12 G 8.11 3.70 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 0.00 0.00 0.00 13 I 7.54 3.71 1.52 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 -0.36 0.61 0.00 0.00 14 T 7.72 3.83 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 1.18 0.00 0.00 15 E 8.36 3.90 0.00 2.12 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 0.00 2.30 2.31 0.00 16 V 7.43 3.64 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 0.87 0.00 0.00 0.83 0.00 0.00 17 L 7.58 3.83 0.00 1.76 1.69 0.79 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.05 4.50 0.00 2.87 2.86 0.00 0.00 6.96 7.19 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 19 V 7.42 3.78 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 1.01 0.00 0.00 0.97 0.00 0.00 20 Y 7.47 4.05 0.00 2.87 2.89 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 *22 N 8.13 4.52 0.00 2.86 2.84 0.00 0.00 6.92 7.14 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 23 A 7.92 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.55 3.53 0.21 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 25 E 7.56 3.97 0.00 1.77 1.96 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 2.18 2.24 0.00 26 S 8.00 4.52 0.00 3.92 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 27 G 8.06 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 0.00 0.00 0.00 28 T 8.16 4.52 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 1.21 0.00 0.00 29 G 8.93 4.03 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 0.00 0.00 0.00 30 E 8.17 3.93 0.00 1.92 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 2.29 2.34 0.00 31 E 7.97 4.19 0.00 2.32 1.96 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 2.32 2.24 0.00 *33 S 8.41 4.47 0.00 3.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.65 4.06 1.36 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 0.00 0.00 35 A 8.07 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.99 5.43 0.00 3.40 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 37 H 9.12 4.32 0.00 3.25 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.36 4.21 0.00 1.94 1.93 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.51 7.81 39 D 8.32 4.95 0.00 2.77 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 40 A 8.07 5.25 1.61 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 41 T 8.38 4.88 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 1.31 0.00 0.00 42 I 8.11 5.55 1.60 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.48 0.76 0.00 0.00 43 F 8.96 5.24 0.00 2.90 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 44 G 7.77 3.29 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 45 Y 8.04 4.96 0.00 2.76 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 46 V 8.92 4.26 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 0.98 0.00 0.00 1.02 0.00 0.00 47 G 8.47 4.14 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 0.00 48 D 8.86 4.52 0.00 2.71 2.57 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 49 K 7.64 4.59 0.00 1.72 1.70 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.23 7.81 50 L 8.16 3.75 0.00 1.19 1.45 0.17 0.97 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 51 A 8.07 3.85 1.03 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 0.00 0.00 52 F 8.07 4.63 0.00 3.12 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 53 N 9.02 4.96 0.00 2.71 2.73 0.00 0.00 6.31 7.00 0.00 0.00 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 G 6.81 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 0.00 0.00 0.00 55 P 0.00 4.34 0.00 2.23 1.94 0.00 3.51 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 56 I 8.22 3.42 1.79 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.00 0.86 0.00 0.00 57 K 7.89 3.98 0.00 1.99 1.78 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.11 7.81 58 D 7.88 4.47 0.00 2.92 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.64 4.16 0.00 1.39 1.29 0.75 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.48 4.59 0.00 3.10 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 61 D 8.38 4.50 0.00 2.83 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 62 W 8.31 4.22 0.00 3.51 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 63 H 8.72 3.97 0.00 3.84 3.54 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.00 4.38 0.00 2.99 2.87 0.00 0.00 6.96 7.57 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 65 S 7.76 4.18 0.00 3.76 3.88 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 66 N 7.52 4.22 0.00 1.74 2.01 0.00 0.00 7.54 7.59 0.00 0.00 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 G 7.08 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 68 P 0.00 4.31 0.00 1.97 1.98 0.00 3.56 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.21 0.00 69 A 8.26 4.45 0.97 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 70 K 8.08 3.97 0.00 1.79 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.05 7.81 71 N 7.87 4.95 0.00 2.66 2.81 0.00 0.00 6.98 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 72 V 7.66 4.28 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 0.44 0.00 0.00 1.05 0.00 0.00 73 Q 9.15 4.58 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 74 S 8.68 5.47 0.00 3.77 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 75 R 9.01 4.71 0.00 1.72 1.81 0.00 3.31 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 76 I 8.65 4.51 1.88 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 1.41 0.50 0.90 0.00 0.00 77 T 8.92 4.60 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 1.32 0.00 0.00 78 N 7.91 5.02 0.00 2.84 2.62 0.00 0.00 6.98 7.98 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 79 I 8.27 4.70 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.72 0.00 0.00 80 D 9.35 4.75 0.00 2.78 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 81 I 8.11 4.67 1.87 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.58 0.96 0.00 0.00 82 V 8.50 4.43 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 0.77 0.00 0.00 0.97 0.00 0.00 83 G 8.20 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.01 4.39 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 1.15 0.00 0.00 85 V 7.87 5.37 2.20 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 0.88 0.00 0.00 1.02 0.00 0.00 86 A 8.93 5.11 0.96 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 87 H 9.26 5.49 0.00 3.24 3.13 0.00 5.74 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 88 A 8.57 5.62 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.54 5.20 0.00 1.89 1.77 0.00 3.18 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 90 V 8.94 5.04 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 1.36 0.00 0.00 1.18 0.00 0.00 91 E 9.49 5.29 0.00 1.98 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 2.32 2.44 0.00 92 A 9.11 5.44 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 0.00 0.00 93 E 8.73 4.85 0.00 1.99 1.85 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 2.25 2.28 0.00 94 N 9.02 4.28 0.00 2.83 3.07 0.00 0.00 7.00 7.95 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 95 W 8.36 4.36 0.00 3.86 3.40 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 96 T 9.23 3.26 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 1.30 0.00 0.00 97 N 8.16 4.35 0.00 2.60 2.87 0.00 0.00 6.66 7.60 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 98 F 7.69 5.22 0.00 2.91 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 0.00 0.00 0.00 99 K 8.24 5.01 0.00 1.78 1.60 0.00 1.59 0.00 0.00 1.46 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.44 7.81 100 F 9.39 5.70 0.00 3.10 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 0.00 101 S 9.16 5.26 0.00 3.90 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 0.00 102 D 9.27 5.22 0.00 2.62 1.64 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 0.00 103 L 8.59 4.99 0.00 1.45 1.57 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 104 F 9.25 5.56 0.00 2.94 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 0.00 105 L 8.91 5.33 0.00 1.80 1.63 1.04 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.09 5.38 0.00 1.73 1.84 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.99 5.08 0.00 1.75 1.51 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.32 3.42 0.00 0.79 1.05 0.00 1.25 0.00 0.00 1.26 0.00 0.00 2.66 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.77 0.21 7.81 109 L 8.73 4.15 0.00 1.76 1.52 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 110 D 9.52 4.20 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.50 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 0.00 0.00 0.00 112 K 7.47 4.64 0.00 1.44 1.65 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.25 7.81 113 W 8.86 4.78 0.00 3.27 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.62 4.66 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 1.38 0.00 0.00 115 I 8.41 4.20 1.46 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.14 1.08 0.00 0.00 116 V 9.13 4.22 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 0.77 0.00 0.00 1.06 0.00 0.00 117 N 8.20 5.56 0.00 2.72 2.73 0.00 0.00 6.52 7.45 0.00 0.00 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 K 8.84 5.09 0.00 2.08 1.72 0.00 1.69 0.00 0.00 1.51 0.00 0.00 2.37 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.13 0.95 7.81 119 V 8.73 5.66 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 0.44 0.00 0.00 0.90 0.00 0.00 120 F 7.96 5.39 0.00 2.95 2.79 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 0.00 121 H 9.27 4.80 0.00 3.21 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.52 4.86 0.00 1.95 1.62 0.48 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.69 4.38 0.00 3.09 3.26 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.63 4.15 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 * Residues marked with a * may have inaccurate shift predictions.