NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.3493 8.3231 116.7953 58.1343 63.2412 173.1170 7 G 3.5714 8.8519 115.9166 44.5046 0.0000 169.2696 8 P 4.1610 0.0000 0.0000 59.1542 33.9528 173.5629 9 S 4.8476 9.2040 116.7728 56.6827 64.8361 172.8454 10 Q 4.7655 9.0094 127.4277 55.1836 29.9771 174.9192 11 V 4.6619 9.0458 124.9423 60.8161 34.3795 173.9854 12 A 4.9559 8.8906 130.5287 50.7745 20.5845 175.5333 13 F 5.1707 9.3522 122.5722 56.3246 41.1876 175.2068 14 E 5.3240 9.3813 122.6131 54.8963 33.6624 174.6528 15 I 4.6413 8.2704 121.1705 59.8996 42.0735 173.4587 16 R 4.9105 9.0142 125.6034 53.7484 33.6855 175.3438 17 G 4.5420 8.1784 109.4868 46.7033 0.0000 171.9289 18 T 4.5884 8.3068 110.0940 60.7726 70.1709 174.1433 19 L 4.5199 7.7208 120.8544 52.9525 45.8329 176.4268 20 L 4.3215 8.6538 121.7574 53.0455 42.6083 174.9286 21 P 4.3099 0.0000 0.0000 64.5910 31.4199 177.4317 22 G 4.0582 8.9637 110.8262 45.3573 0.0000 172.6965 23 E 3.6919 7.6560 120.4927 55.0810 30.9800 175.4145 24 V 3.7512 7.8598 117.0289 59.2863 36.8692 174.4951 25 F 4.7694 6.9485 119.4727 56.9669 40.5638 174.9807 26 A 4.9598 8.8547 122.6218 50.3146 23.1192 174.6553 27 I 4.7660 8.7188 120.3189 59.3065 40.8203 174.0897 28 C 5.2055 8.8921 128.3755 58.2630 35.6296 173.1982 29 G 2.6507 7.9136 110.1095 45.1298 0.0000 173.9280 30 S 4.6828 8.0674 116.3930 58.5215 63.4815 173.4835 31 C 4.8801 7.4556 114.7345 56.4844 33.0743 174.4400 32 D 4.2928 8.8683 118.7092 57.6125 40.3283 179.4176 33 A 3.9437 8.0218 119.4541 54.4276 18.6655 177.8903 34 L 4.3495 7.9356 113.8263 54.3433 42.3930 177.6513 35 G 3.7687 8.2598 107.7801 44.9201 0.0000 173.7204 36 N 4.1417 8.8862 114.5142 53.9869 36.5600 175.3547 37 W 3.8048 7.9418 114.6035 57.1386 28.0003 174.2764 38 N 4.8434 8.2778 118.8867 51.4561 38.3452 173.7255 39 P 4.4983 0.0000 0.0000 65.5986 31.7015 178.9369 40 Q 4.0358 8.2857 116.7405 58.3471 28.6532 177.0722 41 N 4.9263 8.1907 113.2578 52.8331 38.8736 174.5656 42 A 4.4423 7.9517 120.7292 52.0208 19.8616 177.7594 43 V 4.3472 8.4567 119.0207 60.9849 33.4734 174.9023 44 A 4.3541 8.2413 130.2309 51.7441 18.8444 177.0997 45 L 4.5987 8.8033 123.0080 54.5232 43.2207 176.2129 46 L 4.8122 8.9399 119.6608 52.0019 45.6197 174.7707 47 P 3.5159 0.0000 0.0000 62.5000 31.9637 175.3358 48 E 4.4522 8.8292 125.4560 54.7478 30.9690 175.2494 49 N 4.8540 8.6254 123.3365 52.9466 39.8461 176.0168 50 D 4.4874 8.2738 118.3464 55.1955 39.6227 177.0231 51 T 4.3009 7.8076 108.3174 60.9028 69.4156 174.7965 52 G 3.8441 7.9405 109.4154 46.3411 0.0000 173.9393 53 E 4.2548 7.8843 118.1647 56.1422 30.1592 176.6850 54 S 4.4700 8.3652 114.9091 58.8591 63.3262 173.9110 *56 L 4.2577 7.5656 122.8681 54.8167 43.3547 175.4578 57 W 5.2603 9.0256 124.7902 54.9261 33.1665 174.3206 58 K 5.2797 9.5825 122.7908 54.9987 36.0030 174.7248 59 A 5.0216 9.1515 126.4096 50.6099 22.5501 174.8911 60 T 5.0200 8.6705 119.1210 62.1302 70.2928 174.3342 61 I 4.6669 9.1241 127.1293 59.4037 41.3477 174.6118 62 V 4.5729 8.4478 126.1867 62.0115 32.3598 174.9392 63 L 4.9833 9.0260 127.4899 52.7232 45.9744 175.9193 64 S 4.6335 8.4813 117.0964 58.0083 64.1208 174.3441 65 R 4.0017 8.6128 123.8202 57.8243 30.2711 177.3161 66 G 3.8718 9.3290 110.4450 45.4489 0.0000 173.0515 67 V 4.2680 7.1687 120.2738 60.9207 32.6087 175.4924 68 S 4.5838 8.7526 123.6258 58.4174 63.1735 173.2482 69 V 4.5629 9.2175 126.6971 61.3024 34.7192 174.0353 70 Q 5.4242 9.1377 126.8142 54.8860 31.6212 174.0911 71 Y 4.8801 8.5316 119.0597 56.4113 41.9651 173.4680 72 R 5.0010 9.2519 118.3865 55.0050 35.3237 174.1479 73 Y 5.3645 8.8968 119.1059 57.3987 40.1430 174.4549 74 F 5.8780 9.2367 116.9555 55.2424 42.2863 173.1263 75 K 4.5722 8.7498 119.0783 55.4800 34.8596 175.8154 76 G 4.4394 8.0450 109.5947 46.2003 0.0000 170.7173 77 Y 5.0120 8.8980 117.4858 56.2098 41.3044 175.3258 78 F 4.9953 9.2543 122.7870 56.1424 40.0856 174.9003 79 L 4.8251 8.9500 124.4456 52.8877 44.6861 175.9263 80 E 4.6218 8.5571 119.4572 54.8647 30.7017 175.2642 81 P 4.4056 0.0000 0.0000 62.8700 31.9995 177.1950 82 K 4.1858 8.5586 120.4248 58.7276 32.3710 178.0222 83 T 4.3241 7.6529 110.0333 62.1192 69.3195 172.8647 *88 C 4.5071 7.7777 116.7576 59.7029 29.9286 173.2587 89 Q 4.4889 8.5365 117.9068 54.2883 32.2151 174.5410 90 V 4.4791 8.8636 124.4780 61.0037 33.6923 174.6830 91 I 4.3639 8.4059 129.1257 59.3320 39.6289 175.0331 92 V 3.7257 8.1073 128.0022 63.0518 31.4842 175.0483 93 H 4.6458 9.1731 128.9227 58.4012 30.6560 175.5000 94 K 4.6128 7.5756 119.0041 55.0114 35.3022 174.9425 95 W 5.0754 9.0739 127.3112 55.8528 30.4021 175.9168 96 E 3.4809 8.8397 121.9404 56.8936 29.7147 177.9336 97 T 4.0742 8.1300 112.5860 61.7402 69.4365 173.1170 98 H 4.3611 8.5111 118.5205 55.6598 27.3622 174.3116 99 L 4.6662 7.3354 119.6737 53.6650 43.5903 176.8921 100 Q 4.0992 8.4291 119.4092 55.3052 29.3231 174.6975 101 P 4.3664 0.0000 0.0000 63.0389 31.9698 176.7428 102 R 4.0950 8.3415 122.5287 56.3844 31.3009 175.4989 103 S 5.2432 8.1921 114.2497 57.2243 65.9467 172.8550 104 I 4.7524 9.2201 124.7283 60.0314 41.9049 173.9001 105 T 4.8140 8.4975 124.6456 60.9921 70.3702 171.3384 106 P 4.4280 0.0000 0.0000 62.3724 31.9940 177.2762 107 L 4.6038 8.6840 122.7667 54.8908 44.2546 176.6379 108 E 4.5568 7.8019 116.4659 54.8480 31.3052 176.1716 109 S 4.3640 8.4777 116.0764 61.0180 64.1073 174.4382 110 E 5.1082 8.0214 117.6877 54.5260 32.7345 175.7316 111 I 4.6414 8.6907 123.9194 59.6462 42.0470 174.0569 112 I 4.7004 8.3662 126.4529 59.6210 39.4606 175.0325 113 I 4.1936 9.0123 129.5679 59.8050 38.7808 174.7567 114 D 4.8805 8.6499 128.5693 52.8687 41.1924 175.1089 115 D 4.7706 9.1135 125.5999 52.9699 41.8106 178.0156 116 G 3.9471 8.7642 112.8560 46.6918 0.0000 176.6345 117 Q 4.8854 8.4949 123.4501 53.1363 30.3144 174.3346 118 F 4.1433 8.8578 125.2399 60.2724 39.4974 175.4458 119 G 3.8746 9.3370 117.1125 45.1341 0.0000 173.2205 120 I 4.1663 7.6621 125.4550 61.4390 38.0443 175.0420 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 6 S 8.32 4.35 0.00 3.88 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 7 G 8.85 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 8 P 0.00 4.16 0.00 2.08 1.97 0.00 3.90 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 9 S 9.20 4.85 0.00 3.85 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 10 Q 9.01 4.77 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 11 V 9.05 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 -0.11 0.00 0.00 0.81 0.00 0.00 12 A 8.89 4.96 1.18 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 0.00 0.00 13 F 9.35 5.17 0.00 2.99 3.15 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 14 E 9.38 5.32 0.00 1.88 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 2.24 2.24 0.00 15 I 8.27 4.64 0.60 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.70 0.02 0.00 0.00 16 R 9.01 4.91 0.00 1.87 1.78 0.00 3.30 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 17 G 8.18 4.54 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 0.00 0.00 0.00 18 T 8.31 4.59 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 1.25 0.00 0.00 19 L 7.72 4.52 0.00 1.35 1.14 -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.65 4.32 0.00 1.75 1.61 0.89 1.06 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 21 P 0.00 4.31 0.00 2.08 2.05 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 22 G 8.96 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 0.00 0.00 0.00 23 E 7.66 3.69 0.00 1.42 1.54 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 1.64 1.47 0.00 24 V 7.86 3.75 1.90 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 0.81 0.00 0.00 0.92 0.00 0.00 25 F 6.95 4.77 0.00 2.59 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 26 A 8.85 4.96 0.48 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 0.00 0.00 27 I 8.72 4.77 1.76 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.90 0.82 0.00 0.00 28 C 8.89 5.21 0.00 3.48 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 29 G 7.91 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 0.00 0.00 0.00 30 S 8.07 4.68 0.00 3.99 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 0.00 31 C 7.46 4.88 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.87 4.29 0.00 2.72 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 33 A 8.02 3.94 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 34 L 7.94 4.35 0.00 1.47 1.50 0.53 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.26 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 0.00 0.00 0.00 36 N 8.89 4.14 0.00 2.88 2.94 0.00 0.00 6.94 8.40 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 37 W 7.94 3.80 0.00 3.45 3.24 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 38 N 8.28 4.84 0.00 2.81 2.95 0.00 0.00 7.16 7.32 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 39 P 0.00 4.50 0.00 2.09 1.62 0.00 3.77 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.50 0.00 40 Q 8.29 4.04 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.30 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 41 N 8.19 4.93 0.00 2.74 2.85 0.00 0.00 6.99 7.94 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 42 A 7.95 4.44 1.62 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 0.00 0.00 43 V 8.46 4.35 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 0.96 0.00 0.00 44 A 8.24 4.35 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.80 4.60 0.00 1.97 2.03 1.12 1.08 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 46 L 8.94 4.81 0.00 1.43 1.33 0.87 1.01 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 47 P 0.00 3.52 0.00 1.46 1.27 0.00 3.15 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.48 0.00 48 E 8.83 4.45 0.00 1.81 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 2.18 2.32 0.00 49 N 8.63 4.85 0.00 2.72 2.72 0.00 0.00 6.85 8.08 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 50 D 8.27 4.49 0.00 2.79 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 51 T 7.81 4.30 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 1.19 0.00 0.00 52 G 7.94 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 0.00 0.00 0.00 53 E 7.88 4.25 0.00 1.97 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 2.31 2.32 0.00 54 S 8.37 4.47 0.00 3.88 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 *56 L 7.57 4.26 0.00 1.82 1.71 0.92 0.97 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 57 W 9.03 5.26 0.00 3.30 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 58 K 9.58 5.28 0.00 1.74 1.57 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.51 7.81 59 A 9.15 5.02 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 60 T 8.67 5.02 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 1.20 0.00 0.00 61 I 9.12 4.67 2.12 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 1.32 1.09 0.93 0.00 0.00 62 V 8.45 4.57 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 0.79 0.00 0.00 0.93 0.00 0.00 63 L 9.03 4.98 0.00 1.56 1.52 1.05 0.77 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 64 S 8.48 4.63 0.00 3.79 3.79 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 65 R 8.61 4.00 0.00 1.80 1.88 0.00 3.28 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 66 G 9.33 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 67 V 7.17 4.27 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 0.78 0.00 0.00 0.94 0.00 0.00 68 S 8.75 4.58 0.00 3.96 3.79 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 69 V 9.22 4.56 2.17 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 1.01 0.00 0.00 0.96 0.00 0.00 70 Q 9.14 5.42 0.00 2.43 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.36 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 71 Y 8.53 4.88 0.00 2.78 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 9.25 5.00 0.00 2.41 2.30 0.00 3.00 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 73 Y 8.90 5.36 0.00 3.11 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 74 F 9.24 5.88 0.00 2.59 2.32 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 75 K 8.75 4.57 0.00 1.14 1.11 0.00 0.78 0.00 0.00 1.43 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.37 7.81 76 G 8.05 4.44 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 0.00 77 Y 8.90 5.01 0.00 2.78 2.86 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 78 F 9.25 5.00 0.00 2.89 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 79 L 8.95 4.83 0.00 1.58 1.60 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.56 4.62 0.00 1.88 1.90 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 2.33 2.31 0.00 81 P 0.00 4.41 0.00 2.16 2.00 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 82 K 8.56 4.19 0.00 1.74 1.86 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 83 T 7.65 4.32 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 1.21 0.00 0.00 *88 C 7.78 4.51 0.00 2.98 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 89 Q 8.54 4.49 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 90 V 8.86 4.48 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 0.26 0.00 0.00 0.59 0.00 0.00 91 I 8.41 4.36 1.88 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 1.05 0.33 0.88 0.00 0.00 92 V 8.11 3.73 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 -0.22 0.00 0.00 -0.44 0.00 0.00 93 H 9.17 4.65 0.00 3.30 3.58 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.58 4.61 0.00 1.55 1.60 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.56 7.81 95 W 9.07 5.08 0.00 3.25 3.20 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 96 E 8.84 3.48 0.00 1.90 1.75 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 1.47 2.18 0.00 97 T 8.13 4.07 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 1.27 0.00 0.00 98 H 8.51 4.36 0.00 3.13 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.34 4.67 0.00 1.65 1.57 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.43 4.10 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 101 P 0.00 4.37 0.00 1.94 2.04 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 102 R 8.34 4.09 0.00 0.67 1.21 0.00 2.93 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.36 0.00 103 S 8.19 5.24 0.00 3.85 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 0.00 104 I 9.22 4.75 2.16 0.00 0.00 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 1.29 1.24 1.15 0.00 0.00 105 T 8.50 4.81 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 1.24 0.00 0.00 106 P 0.00 4.43 0.00 2.07 1.95 0.00 3.61 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 107 L 8.68 4.60 0.00 1.58 1.66 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.80 4.56 0.00 1.91 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 2.24 2.36 0.00 109 S 8.48 4.36 0.00 3.76 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 0.00 110 E 8.02 5.11 0.00 1.76 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 2.17 2.22 0.00 111 I 8.69 4.64 1.73 0.00 0.00 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 1.18 0.56 0.80 0.00 0.00 112 I 8.37 4.70 1.83 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 1.29 0.54 0.88 0.00 0.00 113 I 9.01 4.19 1.64 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 0.79 0.75 1.19 0.00 0.00 114 D 8.65 4.88 0.00 2.69 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 0.00 115 D 9.11 4.77 0.00 2.96 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 0.00 116 G 8.76 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 0.00 117 Q 8.49 4.89 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.64 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 118 F 8.86 4.14 0.00 2.72 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 9.34 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 0.00 120 I 7.66 4.17 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.