NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3506 8.2549 119.0701 55.5541 30.8541 174.8208 8 P 2.9700 0.0000 0.0000 63.0050 31.9640 173.5311 9 N 5.0649 8.3362 118.8136 52.2769 43.1512 173.9348 10 H 4.3715 9.3388 120.0011 58.5275 29.3005 175.7208 11 T 5.0619 8.1809 116.0617 61.9003 70.6198 173.9210 12 I 4.7753 8.4188 119.9645 59.7998 40.1316 174.1649 13 Y 4.4382 8.9791 127.8367 56.6200 39.8294 173.8525 14 I 4.5338 7.8105 128.9264 59.7855 39.6814 175.0288 15 N 4.7229 8.2252 124.4030 52.0939 40.8486 174.6475 16 N 4.2305 8.8406 117.8683 54.9089 37.4646 174.8592 17 L 4.3813 7.6142 115.3394 53.6091 42.1324 176.3387 18 N 4.5008 8.6136 119.7544 53.6499 39.2879 175.6982 19 E 3.9043 8.6629 124.5551 57.9375 30.0221 177.6384 20 K 4.1372 7.6529 116.1804 57.4159 32.4453 176.8742 21 I 4.1427 6.6308 120.1171 59.4571 38.4625 176.5486 22 K 4.2092 8.1489 123.4320 55.7124 34.0323 178.3706 23 K 3.9288 8.4586 122.2192 59.9889 31.8584 178.7650 24 D 4.3790 8.0292 118.0369 57.1380 41.2494 177.6873 25 E 4.1813 8.1230 117.5823 58.8538 29.9577 178.6732 26 L 4.2010 7.7853 121.9544 58.0143 41.9751 178.7888 27 K 4.0064 8.0176 117.5654 59.1709 32.2201 178.7979 28 K 4.3085 7.7092 117.1004 58.9827 32.0498 179.2437 29 S 4.4271 8.6724 116.1335 60.7425 62.0733 175.7464 30 L 5.0862 8.0666 120.3400 56.1092 40.2321 177.0931 31 H 4.5803 8.3050 119.2152 57.3518 30.1192 176.5750 32 A 3.9660 7.5747 121.8109 55.0065 18.6481 178.9874 33 I 3.9275 7.5658 117.3051 63.8770 38.0826 178.1444 34 F 4.7273 7.7473 118.2562 59.5569 37.6178 177.4449 35 S 4.4040 7.7735 113.9827 60.5453 62.4934 176.2336 36 R 3.8811 7.5900 122.0479 59.2995 29.7670 177.2287 37 F 4.3373 8.0403 116.0907 58.2789 39.5707 175.6123 38 G 4.1678 6.8737 102.2141 45.4458 0.0000 170.9068 39 Q 4.2304 8.2687 121.2416 56.1545 30.1372 175.7458 40 I 4.2020 8.2474 127.6949 60.1075 37.9538 175.4515 41 L 4.2132 8.6836 128.9237 56.6773 41.1973 176.6969 42 D 4.6455 7.6409 116.2077 53.1587 44.9979 173.1688 43 I 4.7206 8.3876 126.5723 60.0044 38.7705 174.8842 44 L 4.6855 8.6183 127.2968 53.1129 43.5570 175.6379 45 V 4.5747 8.4488 123.6967 61.0207 34.0564 174.6243 46 S 4.8056 8.8852 120.9182 56.6796 65.2832 173.2038 47 R 4.5185 8.3640 123.2498 55.7747 30.3919 176.1007 48 S 4.3568 7.5884 111.2167 58.1404 63.6682 173.8990 49 L 4.0547 8.7118 123.2540 58.5551 41.6227 178.7563 50 K 4.1333 8.0662 117.1790 59.7860 32.2171 178.4803 51 M 4.5364 7.6170 115.5991 55.3239 32.0291 176.4479 52 R 3.9937 7.6307 120.2843 57.2155 30.7612 176.3967 53 G 3.9721 9.3001 113.3889 46.1098 0.0000 172.4436 54 Q 4.9327 7.8649 114.7858 54.4159 31.6839 173.2848 55 A 4.7326 8.9754 121.9677 50.4543 23.7978 175.2258 56 F 5.0546 8.6562 117.5223 55.6661 41.5956 173.7947 57 V 4.0657 8.1706 124.4192 61.7379 32.9076 174.5474 58 I 4.5289 7.9352 128.6718 60.1880 38.4432 174.8839 59 F 5.1225 8.4257 126.5886 55.7013 40.1619 176.1586 60 K 4.1543 9.1897 124.8793 58.9636 32.5777 176.6839 61 E 4.7993 8.1421 118.9705 53.5702 32.5343 176.5226 62 V 3.6292 8.2280 123.2929 65.9034 31.5233 178.3113 63 S 4.0726 8.0312 112.6635 61.3207 62.0576 176.1078 64 S 3.9947 7.9135 117.5266 61.0782 62.4824 176.3508 65 A 3.7913 7.6891 123.0489 55.3582 18.1257 179.7043 66 T 3.9033 7.6830 114.2943 66.9428 68.5900 176.8025 67 N 4.2705 7.6766 117.5601 56.1752 38.5289 177.4095 68 A 2.5800 7.5076 122.2626 54.2868 18.1032 179.4675 69 L 3.7697 7.5788 118.2274 58.0123 42.1253 179.3048 70 R 4.0045 7.7980 117.4721 59.4026 30.1880 178.9125 71 S 4.3411 7.7208 113.2828 61.6638 63.4106 176.0312 72 M 4.3045 7.8206 119.1746 54.6135 31.5883 176.0075 73 Q 4.1031 7.5458 122.1598 57.5668 29.4728 176.7806 74 G 3.9460 8.7007 112.7766 45.5598 0.0000 172.9136 75 F 4.0448 8.2128 123.3034 57.0889 39.5121 172.7018 76 P 4.6319 0.0000 0.0000 62.6755 31.3014 175.8384 77 F 4.6991 9.1605 126.1555 57.3807 41.6314 174.0657 78 Y 3.3998 8.5577 127.9578 59.5417 34.9229 170.5033 79 D 4.5089 8.2928 112.7512 54.8610 39.1901 174.1004 80 K 4.7949 7.7205 118.8580 53.8321 36.1916 173.9654 81 P 4.8190 0.0000 0.0000 62.9633 32.2193 176.3655 82 M 4.4706 9.0404 123.7805 55.2217 33.9587 175.2648 83 R 5.0400 8.4701 119.5001 53.6815 33.2646 173.7874 84 I 4.8835 8.4378 126.7638 59.6636 39.8852 174.8030 85 Q 4.5751 8.8580 124.4342 54.0559 33.4955 174.1608 86 Y 4.8595 8.3355 117.3839 57.4158 39.1898 175.6176 87 A 4.3253 8.8293 125.9989 52.5927 18.6506 179.0494 88 K 4.1562 8.9867 123.9985 56.9962 32.1933 176.0311 89 T 4.8076 7.4156 107.1951 58.9604 71.6117 173.3616 90 D 4.4789 8.4825 122.6780 54.5522 41.6732 176.9126 91 S 4.3758 8.3853 118.7223 58.4171 63.5561 173.8859 92 D 4.5420 8.3253 120.4410 54.0313 39.3069 177.0679 93 I 4.4970 7.5894 119.7799 61.8009 39.3278 176.1976 94 I 3.9291 7.7186 120.0853 63.3520 37.4544 177.7438 95 A 4.0330 8.1006 124.9227 55.4031 18.4969 177.9443 96 K 4.1963 7.3191 117.9722 54.9384 31.6976 179.9709 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 *7 R 8.25 4.35 0.00 1.85 1.79 0.00 3.23 0.00 0.00 3.22 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 P 0.00 2.97 0.00 1.77 1.35 0.00 3.44 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 9 N 8.34 5.06 0.00 2.78 3.01 0.00 0.00 7.06 7.89 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 10 H 9.34 4.37 0.00 3.34 3.44 0.00 5.84 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.18 5.06 4.40 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 1.44 0.00 0.00 12 I 8.42 4.78 1.81 0.00 0.00 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 0.93 1.03 0.87 0.00 0.00 13 Y 8.98 4.44 0.00 2.97 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 14 I 7.81 4.53 1.57 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.29 0.82 0.00 0.00 15 N 8.23 4.72 0.00 2.51 2.30 0.00 0.00 6.25 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 16 N 8.84 4.23 0.00 2.84 3.02 0.00 0.00 6.88 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 17 L 7.61 4.38 0.00 1.74 1.69 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.61 4.50 0.00 2.76 2.56 0.00 0.00 6.96 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 19 E 8.66 3.90 0.00 1.98 1.97 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 2.31 2.32 0.00 20 K 7.65 4.14 0.00 1.95 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.63 4.14 1.47 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 -0.30 -0.23 0.68 0.00 0.00 22 K 8.15 4.21 0.00 1.78 1.71 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.45 7.81 23 K 8.46 3.93 0.00 1.83 1.81 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.63 7.81 24 D 8.03 4.38 0.00 2.84 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 25 E 8.12 4.18 0.00 2.29 2.22 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 2.35 2.38 0.00 26 L 7.79 4.20 0.00 1.91 1.95 1.21 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.02 4.01 0.00 2.03 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.67 7.81 28 K 7.71 4.31 0.00 2.06 1.90 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.71 7.81 29 S 8.67 4.43 0.00 4.29 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.07 5.09 0.00 2.09 1.67 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.31 4.58 0.00 3.47 3.47 0.00 5.58 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.57 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.57 3.93 1.44 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.11 0.36 0.00 0.00 34 F 7.75 4.73 0.00 3.46 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 35 S 7.77 4.40 0.00 3.90 4.13 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 36 R 7.59 3.88 0.00 1.55 1.84 0.00 2.68 0.00 0.00 2.84 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 37 F 8.04 4.34 0.00 2.89 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 38 G 6.87 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 39 Q 8.27 4.23 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 40 I 8.25 4.20 1.74 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.59 0.70 0.00 0.00 41 L 8.68 4.21 0.00 1.52 1.67 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.64 4.65 0.00 2.66 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.39 4.72 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.64 0.89 0.00 0.00 44 L 8.62 4.69 0.00 1.68 1.63 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.45 4.57 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 0.82 0.00 0.00 0.97 0.00 0.00 46 S 8.89 4.81 0.00 3.86 3.74 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 47 R 8.36 4.52 0.00 1.77 1.87 0.00 3.33 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 48 S 7.59 4.36 0.00 3.99 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 49 L 8.71 4.05 0.00 1.61 1.79 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.07 4.13 0.00 1.89 1.88 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.48 7.81 51 M 7.62 4.54 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.69 0.00 52 R 7.63 3.99 0.00 2.01 1.86 0.00 3.38 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 53 G 9.30 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 54 Q 7.86 4.93 0.00 1.79 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 55 A 8.98 4.73 1.09 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 56 F 8.66 5.05 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 57 V 8.17 4.07 1.69 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 0.35 0.00 0.00 0.49 0.00 0.00 58 I 7.94 4.53 1.92 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 1.27 0.84 0.94 0.00 0.00 59 F 8.43 5.12 0.00 3.07 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 60 K 9.19 4.15 0.00 1.96 1.95 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.60 7.81 61 E 8.14 4.80 0.00 2.09 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 2.27 2.31 0.00 62 V 8.23 3.63 1.99 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 0.87 0.00 0.00 0.62 0.00 0.00 63 S 8.03 4.07 0.00 3.91 3.83 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 64 S 7.91 3.99 0.00 3.65 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.69 3.79 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.68 3.90 4.27 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 1.29 0.00 0.00 67 N 7.68 4.27 0.00 3.01 3.02 0.00 0.00 6.95 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 68 A 7.51 2.58 0.81 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 69 L 7.58 3.77 0.00 1.49 1.67 -0.16 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.80 4.00 0.00 1.98 1.96 0.00 3.21 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 71 S 7.72 4.34 0.00 4.02 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 72 M 7.82 4.30 0.00 1.77 2.09 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.31 0.00 73 Q 7.55 4.10 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.84 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 74 G 8.70 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 0.00 0.00 0.00 75 F 8.21 4.04 0.00 3.16 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 76 P 0.00 4.63 0.00 1.79 1.88 0.00 2.90 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 1.80 1.94 0.00 77 F 9.16 4.70 0.00 3.20 3.07 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 0.00 0.00 0.00 0.00 78 Y 8.56 3.40 0.00 2.98 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 79 D 8.29 4.51 0.00 2.85 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 80 K 7.72 4.79 0.00 1.84 1.82 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.41 7.81 81 P 0.00 4.82 0.00 2.10 2.13 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 82 M 9.04 4.47 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.66 0.00 83 R 8.47 5.04 0.00 1.84 1.90 0.00 3.09 0.00 0.00 3.28 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 84 I 8.44 4.88 1.77 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 1.34 0.57 0.74 0.00 0.00 85 Q 8.86 4.58 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 86 Y 8.34 4.86 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.83 4.33 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.99 4.16 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.00 7.81 89 T 7.42 4.81 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 D 8.48 4.48 0.00 2.67 2.62 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 0.00 0.00 0.00 0.00 91 S 8.39 4.38 0.00 3.87 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 92 D 8.33 4.54 0.00 2.75 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 93 I 7.59 4.50 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 1.29 0.94 0.90 0.00 0.00 94 I 7.72 3.93 1.79 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 1.21 0.53 0.70 0.00 0.00 95 A 8.10 4.03 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 96 K 7.32 4.20 0.00 1.83 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.