NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5360 8.1633 120.2814 54.9468 33.6972 173.0734 2 K 4.4874 8.3289 123.5086 55.8736 33.3157 171.1389 3 V 4.9050 9.8701 119.3487 59.7469 36.9492 174.7331 4 I 4.8906 8.7522 124.0400 58.9381 38.0086 175.3467 5 L 4.0794 8.1863 127.7007 55.4163 42.7353 175.4962 6 L 4.7285 8.3617 116.1696 55.8780 43.7175 179.4974 7 E 4.2818 8.1149 121.2605 56.5808 30.4660 173.8906 8 P 5.7079 0.0000 0.0000 61.4020 33.6598 174.4424 9 L 4.7306 7.7782 120.1129 53.1803 46.2689 175.5709 10 E 4.0518 8.5872 119.6798 57.0883 30.0201 175.5705 11 N 4.0925 7.9724 119.5510 53.6004 38.7649 173.9643 12 L 4.5057 7.5597 114.6895 55.9226 43.4734 174.3937 13 G 4.2586 7.9290 118.4118 45.9653 0.0000 171.3883 14 D 4.4823 8.4605 119.5719 54.4860 40.5400 176.2037 15 V 3.5596 8.2151 124.1579 62.1790 32.0757 178.3277 16 G 3.9224 8.3261 108.3066 46.3714 0.0000 174.0657 17 Q 4.1673 7.9505 122.2751 56.0266 30.2378 175.0361 18 V 4.5432 8.3059 125.9725 62.2475 32.8521 175.3183 19 V 4.6936 8.5760 125.8490 60.4207 35.0413 172.7629 20 D 5.2166 8.6423 122.6782 52.8939 40.7203 175.7789 21 V 4.5928 8.4015 113.9047 59.3693 36.8395 174.7036 22 K 4.0174 8.6844 123.2500 56.0669 32.9461 175.3730 23 P 4.3695 0.0000 0.0000 65.9197 31.1539 178.4708 24 G 3.8476 8.2554 103.6505 48.2700 0.0000 174.2954 25 Y 4.2717 8.2312 121.4832 61.0837 38.8774 177.3307 26 A 3.8872 8.1982 120.2286 56.1255 18.1518 179.4697 27 R 3.9290 8.3647 116.9841 58.4469 30.5412 178.1439 28 N 4.9415 7.8066 113.1687 53.8059 40.1569 173.5706 29 Y 4.3915 8.1394 119.3473 57.8430 41.0847 176.8524 30 L 3.6993 7.0273 117.1380 58.1598 42.8510 179.3611 31 L 3.8977 7.9783 121.2617 57.9142 42.2817 177.4505 32 P 4.3316 0.0000 0.0000 65.8008 31.2542 178.4219 33 R 4.1420 7.9389 115.5873 58.9104 30.2602 177.2136 34 G 3.9088 7.8119 102.9545 46.3225 0.0000 175.2340 35 L 4.3485 7.6285 120.5157 54.5753 42.8451 176.5866 36 A 4.5819 7.0171 119.3394 51.9966 22.3093 174.4986 37 V 4.5147 7.6732 117.3484 61.2334 35.8647 174.2068 38 L 4.5878 8.4236 121.5643 53.3867 42.4022 179.1989 39 A 4.5039 8.6760 127.6289 51.4264 16.9545 178.3003 40 T 3.9367 7.9789 110.3885 62.7995 69.3041 174.9710 41 E 3.5559 8.9458 123.7744 59.7078 28.9623 179.7753 42 S 4.1118 7.9711 112.6502 61.5800 62.6393 175.8608 43 N 4.6122 8.4439 119.4602 55.9664 37.7453 177.2937 44 L 4.0009 8.6154 121.9141 57.6970 41.7588 179.5586 45 K 4.0949 7.7893 116.9637 59.4510 33.1502 178.8278 46 A 4.0385 7.5227 122.1696 54.5920 18.0216 179.5096 47 L 3.8449 7.7688 118.6720 58.4639 42.0740 178.5800 48 E 3.6635 7.5486 116.3584 59.0337 29.4475 177.9477 49 A 4.3697 7.6915 118.8589 53.4071 19.5349 179.3582 50 R 4.0682 7.7057 116.7746 59.3413 30.1281 178.7562 51 I 3.8087 8.1126 115.8439 62.7689 37.0013 177.7614 52 R 4.1315 7.8361 120.3486 57.9518 31.0259 176.9972 53 A 4.8212 7.6170 118.9800 51.5633 19.1885 176.2087 54 Q 4.4959 8.0705 118.9284 55.9906 29.7642 175.1521 55 A 4.7239 7.7732 116.7983 51.3724 20.7405 176.9081 56 K 4.4991 7.7748 113.2756 57.0538 34.9300 178.4705 57 R 3.8713 7.6486 119.9520 58.8198 30.1168 177.0522 58 L 4.5106 7.9066 116.7934 55.0060 41.8660 176.0369 59 A 4.7630 7.5203 119.3970 52.1142 19.7724 177.8140 60 E 4.4943 7.9845 121.9332 59.5518 30.9048 177.6286 61 R 4.3008 7.9345 113.7753 56.9769 30.2154 176.4487 62 K 4.6286 8.0040 118.4268 56.0563 32.9074 175.7551 63 A 4.5390 8.0863 118.8479 53.3073 20.6275 178.2940 64 E 4.2614 8.0820 112.7266 57.2897 30.0899 177.6730 65 A 4.3944 7.9374 120.3491 53.0150 19.0019 177.4269 66 E 4.5912 8.1059 113.3353 56.0451 31.2876 176.5200 67 R 4.6283 8.5959 118.2469 52.7438 29.6357 175.7834 68 L 5.4988 7.2877 133.2947 56.2823 41.5865 174.3949 69 K 4.2880 7.7595 117.9371 57.5316 32.1860 176.4358 70 E 4.6354 8.0530 115.6860 56.7702 30.7590 176.0481 71 I 4.2767 7.6031 113.0878 61.0299 38.9701 176.9823 72 L 4.6504 7.8012 118.3073 54.3531 42.2024 176.7457 73 E 4.5717 8.1130 118.7656 56.4546 30.3578 175.2547 74 N 4.7845 7.8949 112.4492 55.2729 40.7556 174.8782 75 L 4.1801 7.5278 118.8829 55.1015 42.7038 175.6295 76 T 4.7469 7.9771 112.5006 60.1927 72.0583 173.5157 77 L 4.0866 7.9137 120.6788 56.7084 42.2210 174.3840 78 T 4.1796 7.7943 121.7743 62.6314 67.9866 171.3335 79 I 4.5100 7.8832 126.3917 57.8569 40.1238 175.5779 80 P 4.9693 0.0000 0.0000 62.3742 28.8290 177.2160 81 V 3.6936 7.8920 120.8178 62.9945 33.2464 175.9519 82 R 4.5413 8.4052 128.0287 55.2242 30.0848 174.7561 83 A 4.8830 8.0223 131.4220 52.2795 22.5229 175.2639 84 G 4.2945 8.6008 103.2934 46.2641 0.0000 173.2247 85 E 3.6307 9.5224 121.3819 57.4829 31.0188 177.4550 86 T 4.1310 9.3442 126.7340 64.5939 67.5359 177.1517 87 K 4.1957 9.2003 129.7166 57.4389 33.9886 176.1187 88 I 4.7178 7.7657 126.7764 61.8294 35.8452 177.4133 89 Y 4.6317 8.3431 120.8743 59.1701 42.4975 174.9880 90 G 4.0533 8.4047 105.5511 50.6344 0.0000 175.0804 91 S 3.5276 7.2664 110.5408 56.1292 64.1024 173.5901 92 V 3.9217 8.3401 124.5187 61.5188 31.9291 176.2313 93 T 4.5260 8.6290 115.4625 59.8120 72.1713 175.4205 94 A 3.8686 8.4731 123.4252 55.4451 18.2431 180.3153 95 K 3.9930 7.9891 116.6376 59.5987 32.1153 179.0242 96 D 4.8446 7.5860 119.4400 57.1083 40.6399 178.5559 97 I 3.6157 8.1604 119.5867 64.4418 37.1627 177.9217 98 A 4.1956 7.9588 120.3264 55.7606 19.2710 178.7396 99 E 3.5466 8.4386 115.9800 59.5589 30.8055 177.2284 100 A 4.6065 8.7289 125.0635 49.8613 17.6180 176.3002 101 L 4.2866 7.1994 122.5375 55.1617 48.1712 175.4013 102 S 5.1219 7.9656 110.9937 57.6396 62.3496 174.2446 103 R 4.6095 7.5737 114.8949 56.4857 32.8604 176.0770 104 Q 4.1530 8.2608 118.0073 58.3079 29.3316 174.7614 105 H 4.7662 8.6581 110.1913 57.8115 31.4066 172.7449 106 G 3.1679 7.0609 106.5735 44.7667 0.0000 172.4958 107 V 4.4602 8.3107 122.5888 61.9529 35.3816 174.0380 108 T 4.6880 8.0824 121.3895 62.5302 70.4697 173.7139 109 I 4.4142 7.6221 122.4954 60.6867 41.3436 173.8952 110 D 4.6760 8.6355 122.1915 52.8251 40.9578 176.0970 111 P 4.3713 0.0000 0.0000 64.7228 31.0691 176.8026 112 K 4.3660 7.8473 117.4588 57.5221 33.5269 177.5667 113 R 4.2557 7.8737 116.2575 56.4566 29.5234 177.0794 114 L 4.3271 7.6786 116.8368 54.6940 42.4013 176.4778 115 A 3.6846 7.5551 121.2502 53.3758 15.8336 178.5444 116 L 4.5282 7.3279 123.0534 52.4442 42.2000 174.7797 117 E 4.0894 8.5837 122.6147 58.5979 29.7931 178.0552 118 K 4.6571 7.4454 116.1815 53.9066 36.2298 174.5371 119 P 4.3145 0.0000 0.0000 63.0099 31.6052 177.9853 120 I 2.7814 8.1245 121.3997 60.1660 36.0073 174.0842 121 K 3.7179 8.7090 123.8271 56.5005 30.6927 174.7768 122 E 4.9910 7.4726 116.4606 55.7316 32.6007 175.8370 123 L 4.2755 8.1091 125.6502 54.6054 42.7900 175.7484 124 G 3.5937 7.7658 104.3159 44.5986 0.0000 172.1874 125 E 4.7864 7.7823 117.2151 54.8909 28.7212 173.6170 126 Y 4.3442 9.0712 119.8989 56.8993 39.1493 175.3838 127 V 4.3361 8.1414 127.9558 61.6570 29.2994 176.6964 128 L 4.5204 7.9600 126.9184 54.6862 42.8219 176.4868 129 T 4.7516 8.1865 117.4408 63.7494 72.8099 173.4353 130 Y 5.1376 7.3820 125.2451 58.2713 41.5288 174.0309 131 K 4.1985 6.5838 115.5860 56.1785 36.2671 172.6049 132 P 4.7009 0.0000 0.0000 63.3331 34.6954 177.1020 133 H 3.8096 8.5318 114.5422 55.6134 30.0146 174.1439 134 P 4.2108 0.0000 0.0000 61.7754 30.3265 175.0878 135 E 4.3309 8.3556 122.1648 56.2049 30.6044 177.5373 136 V 4.4752 8.3167 120.8812 59.1251 33.2629 172.0002 137 P 4.6779 0.0000 0.0000 63.1053 31.8721 175.6958 138 I 4.7573 8.3428 123.3570 58.7684 39.9136 174.4740 139 Q 4.7284 8.5887 127.0752 54.9441 31.5632 173.8520 140 L 4.8674 9.7113 126.3212 53.4145 45.4232 175.4113 141 K 4.9440 8.6935 126.5848 55.0126 33.1779 175.7648 142 V 4.1919 8.2365 119.4081 60.9235 32.0925 175.9172 143 S 4.7658 8.4504 120.6005 56.1680 65.0859 174.7033 144 V 4.2169 8.0903 125.4950 63.1029 32.1091 175.2773 145 V 3.3486 8.3064 118.7337 62.4395 31.5701 171.9121 *146 A 4.1219 8.3270 123.9747 52.4498 18.7144 176.6768 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 1 M 8.16 4.54 0.00 1.96 2.44 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 2 K 8.33 4.49 0.00 1.77 1.76 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.49 7.81 3 V 9.87 4.90 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 0.83 0.00 0.00 1.02 0.00 0.00 4 I 8.75 4.89 1.88 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 1.24 1.43 0.92 0.00 0.00 5 L 8.19 4.08 0.00 1.59 1.66 0.97 0.52 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 6 L 8.36 4.73 0.00 1.41 1.51 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.11 4.28 0.00 1.83 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 2.32 2.39 0.00 8 P 0.00 5.71 0.00 2.07 2.04 0.00 3.35 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 9 L 7.78 4.73 0.00 2.02 1.66 1.04 0.93 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 10 E 8.59 4.05 0.00 1.98 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 2.38 2.24 0.00 11 N 7.97 4.09 0.00 2.82 2.81 0.00 0.00 7.03 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 12 L 7.56 4.51 0.00 1.82 1.73 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.93 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 0.00 0.00 0.00 0.00 14 D 8.46 4.48 0.00 3.05 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 15 V 8.22 3.56 2.40 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 0.72 0.00 0.00 0.94 0.00 0.00 16 G 8.33 3.92 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 0.00 0.00 0.00 17 Q 7.95 4.17 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 18 V 8.31 4.54 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 0.94 0.00 0.00 19 V 8.58 4.69 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 0.80 0.00 0.00 0.95 0.00 0.00 20 D 8.64 5.22 0.00 2.71 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 21 V 8.40 4.59 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 0.71 0.00 0.00 1.09 0.00 0.00 22 K 8.68 4.02 0.00 1.82 1.74 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.54 7.81 23 P 0.00 4.37 0.00 2.22 2.15 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 24 G 8.26 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 25 Y 8.23 4.27 0.00 2.96 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 26 A 8.20 3.89 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 27 R 8.36 3.93 0.00 1.82 2.04 0.00 3.13 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 28 N 7.81 4.94 0.00 2.91 2.87 0.00 0.00 6.71 7.31 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 29 Y 8.14 4.39 0.00 2.68 2.26 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 30 L 7.03 3.70 0.00 1.68 1.56 1.10 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.98 3.90 0.00 1.72 1.73 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.33 0.00 2.03 2.05 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 33 R 7.94 4.14 0.00 1.43 1.71 0.00 2.38 0.00 0.00 2.91 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.34 0.00 34 G 7.81 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 0.00 0.00 0.00 35 L 7.63 4.35 0.00 1.56 1.68 0.78 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.02 4.58 1.24 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 0.00 0.00 37 V 7.67 4.51 2.08 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 0.96 0.00 0.00 0.92 0.00 0.00 38 L 8.42 4.59 0.00 1.56 1.58 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.68 4.50 1.24 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 0.00 0.00 40 T 7.98 3.94 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 41 E 8.95 3.56 0.00 2.03 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 0.00 2.41 2.39 0.00 42 S 7.97 4.11 0.00 3.88 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 43 N 8.44 4.61 0.00 2.99 2.85 0.00 0.00 7.07 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 44 L 8.62 4.00 0.00 1.74 1.73 0.95 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.79 4.09 0.00 2.02 2.05 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.45 7.81 46 A 7.52 4.04 1.39 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 47 L 7.77 3.84 0.00 1.78 1.91 0.99 1.03 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 48 E 7.55 3.66 0.00 2.10 2.01 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 2.33 2.50 0.00 49 A 7.69 4.37 1.34 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 0.00 0.00 50 R 7.71 4.07 0.00 2.05 1.98 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 51 I 8.11 3.81 1.99 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 1.41 0.74 0.91 0.00 0.00 52 R 7.84 4.13 0.00 1.89 2.03 0.00 3.25 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 53 A 7.62 4.82 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 54 Q 8.07 4.50 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 55 A 7.77 4.72 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 56 K 7.77 4.50 0.00 1.95 2.02 0.00 1.39 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.43 7.81 57 R 7.65 3.87 0.00 1.91 2.12 0.00 3.08 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 58 L 7.91 4.51 0.00 1.63 1.62 0.91 0.91 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 59 A 7.52 4.76 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 60 E 7.98 4.49 0.00 2.13 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 2.22 2.41 0.00 61 R 7.93 4.30 0.00 1.81 2.02 0.00 3.25 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 62 K 8.00 4.63 0.00 1.65 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.31 7.81 63 A 8.09 4.54 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 4.26 0.00 2.04 2.01 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 2.53 2.26 0.00 65 A 7.94 4.39 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 66 E 8.11 4.59 0.00 1.96 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 2.24 2.25 0.00 67 R 8.60 4.63 0.00 1.83 1.87 0.00 3.36 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 68 L 7.29 5.50 0.00 1.79 1.93 0.91 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.76 4.29 0.00 2.02 1.82 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.63 7.81 70 E 8.05 4.64 0.00 1.96 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 2.21 2.20 0.00 71 I 7.60 4.28 1.86 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 1.27 0.72 0.90 0.00 0.00 72 L 7.80 4.65 0.00 1.60 1.62 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.11 4.57 0.00 1.97 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 2.23 2.38 0.00 74 N 7.89 4.78 0.00 2.70 2.80 0.00 0.00 6.91 7.85 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 75 L 7.53 4.18 0.00 1.60 1.97 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.98 4.75 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 1.24 0.00 0.00 77 L 7.91 4.09 0.00 1.73 1.73 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.79 4.18 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 79 I 7.88 4.51 1.90 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 1.36 1.66 0.96 0.00 0.00 80 P 0.00 4.97 0.00 1.94 2.05 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 81 V 7.89 3.69 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 0.96 0.00 0.00 0.97 0.00 0.00 82 R 8.41 4.54 0.00 1.76 1.82 0.00 3.25 0.00 0.00 3.08 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.47 0.00 83 A 8.02 4.88 1.48 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 84 G 8.60 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 85 E 9.52 3.63 0.00 2.06 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 2.26 2.33 0.00 86 T 9.34 4.13 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 1.29 0.00 0.00 87 K 9.20 4.20 0.00 1.73 1.67 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.45 7.81 88 I 7.77 4.72 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 1.00 0.00 0.00 89 Y 8.34 4.63 0.00 3.08 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 90 G 8.40 4.05 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 0.00 91 S 7.27 3.53 0.00 4.29 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 92 V 8.34 3.92 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 0.76 0.00 0.00 0.93 0.00 0.00 93 T 8.63 4.53 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 1.26 0.00 0.00 94 A 8.47 3.87 1.39 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 95 K 7.99 3.99 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.53 7.81 96 D 7.59 4.84 0.00 2.94 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 97 I 8.16 3.62 2.00 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 1.45 0.65 0.90 0.00 0.00 98 A 7.96 4.20 1.32 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 0.00 0.00 99 E 8.44 3.55 0.00 2.20 2.02 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 2.31 2.38 0.00 100 A 8.73 4.61 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 0.00 101 L 7.20 4.29 0.00 1.70 1.82 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.97 5.12 0.00 3.95 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 0.00 103 R 7.57 4.61 0.00 1.76 1.87 0.00 3.27 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 104 Q 8.26 4.15 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 105 H 8.66 4.77 0.00 3.11 3.22 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.06 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 0.00 0.00 0.00 107 V 8.31 4.46 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 0.91 0.00 0.00 0.93 0.00 0.00 108 T 8.08 4.69 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 0.00 109 I 7.62 4.41 1.92 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 1.28 0.03 0.95 0.00 0.00 110 D 8.64 4.68 0.00 2.81 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 P 0.00 4.37 0.00 2.18 2.22 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 112 K 7.85 4.37 0.00 1.82 1.86 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.44 7.81 113 R 7.87 4.26 0.00 1.82 1.32 0.00 3.09 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 114 L 7.68 4.33 0.00 1.69 1.76 1.00 0.90 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 0.00 115 A 7.56 3.68 1.33 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 0.00 116 L 7.33 4.53 0.00 1.56 1.57 0.91 0.98 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 0.00 117 E 8.58 4.09 0.00 2.09 2.08 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 2.25 2.33 0.00 118 K 7.45 4.66 0.00 1.73 1.63 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.39 7.81 119 P 0.00 4.31 0.00 2.15 2.11 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 120 I 8.12 2.78 1.80 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 0.83 0.27 0.85 0.00 0.00 121 K 8.71 3.72 0.00 1.86 1.83 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.40 7.81 122 E 7.47 4.99 0.00 2.03 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 0.00 2.08 2.12 0.00 123 L 8.11 4.28 0.00 1.75 1.65 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.77 3.59 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 0.00 0.00 0.00 125 E 7.78 4.79 0.00 1.72 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 2.12 2.19 0.00 126 Y 9.07 4.34 0.00 3.00 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 0.00 127 V 8.14 4.34 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 1.01 0.00 0.00 128 L 7.96 4.52 0.00 1.74 1.59 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.19 4.75 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 0.00 130 Y 7.38 5.14 0.00 2.85 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 0.00 131 K 6.58 4.20 0.00 1.34 1.44 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 1.25 7.81 132 P 0.00 4.70 0.00 2.20 2.03 0.00 3.69 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 1.99 1.89 0.00 133 H 8.53 3.81 0.00 3.33 2.87 0.00 5.77 0.00 0.00 0.00 0.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.21 0.00 2.09 2.36 0.00 3.95 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 135 E 8.36 4.33 0.00 1.87 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 2.30 2.59 0.00 136 V 8.32 4.48 2.14 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 1.09 0.00 0.00 0.92 0.00 0.00 137 P 0.00 4.68 0.00 2.13 2.15 0.00 3.92 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 2.18 2.02 0.00 138 I 8.34 4.76 1.86 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 1.08 1.78 0.87 0.00 0.00 139 Q 8.59 4.73 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 140 L 9.71 4.87 0.00 1.64 1.57 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.69 4.94 0.00 1.76 1.78 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.69 1.46 7.81 142 V 8.24 4.19 2.14 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 0.66 0.00 0.00 1.18 0.00 0.00 143 S 8.45 4.77 0.00 3.87 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 0.00 144 V 8.09 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 0.95 0.00 0.00 0.95 0.00 0.00 145 V 8.31 3.35 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 *146 A 8.33 4.12 1.24 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.