NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5193 8.1876 118.3604 58.9712 29.2013 174.1331 11 P 4.3119 0.0000 0.0000 63.8320 32.4489 174.2899 12 L 4.9627 7.9585 123.8937 53.5448 45.0818 176.6217 13 M 4.8937 9.5768 125.5124 53.4292 36.3625 174.6067 14 V 4.8483 8.1899 120.2129 60.9862 35.2780 173.9822 15 K 4.8996 9.2207 128.3660 54.5611 35.4684 174.6314 16 V 4.7791 8.8105 127.3333 61.0576 34.1410 174.1465 17 L 5.0256 9.1028 127.4935 52.9030 45.7489 174.9716 18 D 5.1986 9.0524 122.2163 52.8259 42.2568 176.6108 19 A 4.3178 9.4020 128.8097 53.7285 18.6042 178.4911 20 V 3.9479 9.0622 115.4472 65.1128 32.0217 177.3520 21 R 4.2345 8.5621 116.2097 56.2217 30.5857 176.2313 22 G 3.8956 8.3906 105.5551 46.0698 0.0000 173.0046 23 S 4.7469 7.6256 111.6015 55.6740 67.0623 171.6612 24 P 4.7009 0.0000 0.0000 62.7582 32.1423 176.3189 25 A 4.2562 9.0741 125.0607 51.1534 19.4507 176.5320 26 I 4.2253 8.3592 122.9405 61.3715 38.8585 175.9406 27 N 4.2881 8.7849 122.0183 54.0916 36.6072 174.3162 28 V 3.9954 7.8582 119.1392 62.2990 33.1351 174.8877 29 A 4.6401 8.5070 129.4487 51.5191 20.1991 176.1337 30 V 4.7141 8.8867 122.8663 61.4656 34.4308 173.8562 31 H 5.0810 9.3010 125.7562 53.8598 31.6299 173.5862 32 V 4.9028 8.8176 122.8904 61.1994 34.5141 174.3150 33 F 5.5737 9.6839 124.6468 55.8190 43.7942 173.5733 34 R 4.7240 9.2237 120.8877 54.1687 33.1549 174.4083 35 K 3.9093 8.9281 128.2546 55.9161 32.6297 176.7629 36 A 4.2187 8.7707 130.8831 50.9377 19.4837 177.9395 37 A 3.8099 8.4432 124.4789 55.8132 18.3155 179.0955 *38 D 4.6678 8.0157 113.3184 52.8660 39.7742 180.6929 39 D 4.6540 7.7882 117.5354 56.3585 39.1389 173.6242 40 T 4.3394 6.8380 108.1721 59.9805 71.7538 173.8801 41 W 5.0514 8.4333 122.9035 55.6470 29.6342 175.7172 42 E 4.4951 8.9739 126.1431 54.9132 30.3025 174.9246 43 P 4.4414 0.0000 0.0000 63.8284 31.4765 175.0930 44 F 4.9094 9.1066 125.0679 59.5285 41.5814 174.7288 45 A 4.5457 7.6612 117.3747 51.4783 22.4900 174.8095 46 S 4.5774 7.4387 113.0119 57.7961 66.1633 173.2207 47 G 4.0276 7.4552 106.5137 46.2704 0.0000 171.7554 48 K 5.3118 7.6533 117.9364 54.7177 35.9670 175.9710 49 T 4.1812 8.9073 113.9450 62.0514 70.2781 174.9043 50 S 4.9441 9.0402 119.7622 57.2143 65.4580 174.2387 51 E 4.1672 8.7352 118.7657 59.5713 29.1272 178.0751 52 S 4.3068 7.6796 111.1767 58.0839 63.6471 174.9753 53 G 3.9266 8.8101 110.3026 45.2012 0.0000 172.4830 54 E 5.4665 7.7915 117.2442 52.5748 32.7545 174.1350 55 P 5.0413 0.0000 0.0000 62.8404 33.0133 175.3512 *56 H 4.6190 8.6492 119.1266 54.1553 29.5731 176.1752 57 G 3.9462 8.5431 110.9424 45.8714 0.0000 172.8953 58 L 3.9983 7.6452 119.6966 58.0155 42.5059 177.0886 59 T 4.4027 7.1751 109.5262 61.3200 70.2028 171.6588 60 T 4.7862 8.0863 109.7984 59.4116 71.8906 174.3331 61 E 4.0448 9.1364 124.2333 60.4659 29.7253 179.4982 62 E 4.2278 8.2608 113.4071 58.9414 30.0582 180.1194 63 E 4.3641 7.9373 118.0773 59.0065 29.9841 177.8442 64 F 4.7330 8.0505 121.8114 57.4853 37.4235 174.8488 65 V 4.0252 7.4030 117.3506 59.4084 33.1107 176.0234 66 E 4.1467 7.9464 120.0182 55.4632 29.8357 177.3097 67 G 3.9332 7.7064 110.9176 45.1133 0.0000 170.7971 68 I 4.7102 7.0981 120.2578 59.7746 39.0030 174.8114 69 Y 5.1878 8.9034 124.7176 55.8844 41.6596 174.5689 70 K 4.8321 9.2722 123.1904 54.5891 35.4623 174.7306 71 V 4.7946 9.2832 127.9031 61.1652 33.8555 173.6794 72 E 5.0587 9.7127 129.4921 54.5278 32.2737 174.2816 73 I 4.5845 8.9002 128.6722 59.7357 39.0891 176.0395 74 D 4.9984 9.1313 130.0396 53.8855 37.8683 177.0846 75 T 3.9568 7.8095 114.2837 64.3893 69.5405 176.7183 76 K 4.1762 8.0777 122.0897 59.5351 32.3317 178.8818 77 S 4.2072 8.0898 115.0815 61.4030 62.7288 175.8419 78 Y 3.9364 7.5352 121.0201 60.5664 38.5559 178.2356 79 W 4.3206 8.3761 122.4736 60.0988 29.0447 179.2031 *80 K 3.9069 8.1685 123.3827 59.8925 30.9159 180.7428 81 A 4.1490 7.7265 120.8453 55.1575 18.3723 179.4117 82 L 4.1359 7.3300 114.6147 55.4549 41.8242 177.7392 83 G 3.8732 8.3364 107.0508 46.2530 0.0000 173.2565 84 I 4.5399 7.8863 120.1066 58.7346 39.7657 175.7430 85 S 4.3559 8.7925 121.0211 57.3619 63.6353 172.2499 86 P 4.6515 0.0000 0.0000 61.2930 33.3178 175.2760 87 F 3.9193 8.3756 120.6633 60.4773 39.5300 175.9572 88 H 4.3905 7.8813 115.6638 54.9263 29.5458 175.3876 89 E 4.0223 8.6324 122.4632 59.6859 29.4753 176.2260 90 H 5.0609 7.5251 110.4731 56.0029 31.3063 172.7907 91 A 4.4242 8.4684 120.1903 50.0044 21.1366 175.5837 92 E 5.0220 8.8161 120.8221 54.4370 32.9682 175.4663 93 V 4.4683 9.2399 124.5249 61.1844 34.2780 174.1343 94 V 5.1472 8.5767 128.0773 61.1871 33.7469 174.4256 95 F 5.1272 9.1156 121.2789 56.3266 41.6954 172.9109 96 T 4.9661 8.7102 116.9572 62.2654 69.4946 174.4199 97 A 4.6684 9.2891 132.2970 52.4716 19.6844 176.4380 *98 N 5.0997 9.9981 122.3111 51.0611 41.1082 171.3198 99 D 4.6614 12.0000 126.6250 54.0021 41.7143 178.3861 100 S 4.5970 8.6912 116.9175 57.6401 64.5981 171.8667 101 G 4.0628 8.2289 114.6200 43.5218 0.0000 169.3265 102 P 4.2706 0.0000 0.0000 63.4068 31.5645 177.6469 103 R 4.5832 8.5656 122.9908 56.1017 32.9306 171.8921 104 R 4.9852 9.0871 125.1637 54.6383 32.0243 171.2473 105 Y 4.7585 9.3531 121.6556 56.1044 40.2090 174.7642 106 T 4.8781 8.8066 121.4061 61.8659 71.5477 173.2654 107 I 4.6621 9.0986 128.7020 60.0120 38.7426 174.7660 108 A 5.3000 8.8028 129.3078 50.1546 21.9434 175.2170 109 A 5.1271 8.9883 122.2366 50.1301 22.9137 174.6815 110 L 5.0221 9.1580 125.3137 53.4582 44.1621 174.9517 111 L 5.3590 9.3674 126.8985 53.3644 44.0133 175.8867 112 S 5.2292 9.2646 118.3768 56.0049 67.0402 173.5224 113 P 3.0041 0.0000 0.0000 65.1775 31.0382 177.9196 114 Y 4.4272 7.8149 112.0311 57.2768 38.4541 174.8737 115 S 4.7851 7.8697 114.2855 57.7901 66.1272 172.4201 116 Y 5.5073 7.7405 117.8737 55.8867 40.6335 173.9788 117 S 4.9706 9.0346 115.1344 57.1571 66.6592 172.6584 118 T 5.2216 8.2998 114.1849 61.2726 70.4255 172.4361 119 T 4.8331 9.0233 120.8639 60.4427 71.7664 171.8405 120 A 5.0314 8.5130 126.4125 50.0341 21.4681 175.9019 121 V 4.0619 8.8418 123.5308 61.3084 33.2913 174.6283 122 V 4.5795 8.2001 129.0425 61.4168 32.8708 175.5763 123 T 4.2660 8.3742 117.6089 61.8981 68.9865 173.7538 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 10 C 8.19 4.52 0.00 2.95 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 11 P 0.00 4.31 0.00 2.14 2.39 0.00 3.69 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 1.81 2.22 0.00 12 L 7.96 4.96 0.00 0.53 0.95 0.81 0.77 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 13 M 9.58 4.89 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 14 V 8.19 4.85 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 0.93 0.00 0.00 0.90 0.00 0.00 15 K 9.22 4.90 0.00 1.75 1.55 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.30 7.81 16 V 8.81 4.78 1.87 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 0.66 0.00 0.00 0.80 0.00 0.00 17 L 9.10 5.03 0.00 1.56 1.52 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.05 5.20 0.00 2.70 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 19 A 9.40 4.32 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 20 V 9.06 3.95 2.60 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 0.92 0.00 0.00 0.97 0.00 0.00 21 R 8.56 4.23 0.00 2.04 2.04 0.00 3.41 0.00 0.00 3.66 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 22 G 8.39 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 0.00 0.00 0.00 23 S 7.63 4.75 0.00 3.87 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 24 P 0.00 4.70 0.00 2.03 2.09 0.00 3.67 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 2.21 2.08 0.00 25 A 9.07 4.26 0.55 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 0.00 0.00 26 I 8.36 4.23 1.91 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 1.50 0.80 0.91 0.00 0.00 27 N 8.78 4.29 0.00 2.93 2.97 0.00 0.00 6.93 7.76 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 28 V 7.86 4.00 1.87 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 0.74 0.00 0.00 0.40 0.00 0.00 29 A 8.51 4.64 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 30 V 8.89 4.71 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 0.92 0.00 0.00 0.90 0.00 0.00 31 H 9.30 5.08 0.00 3.04 2.70 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.82 4.90 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 1.39 0.00 0.00 0.97 0.00 0.00 33 F 9.68 5.57 0.00 2.79 3.22 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 0.00 0.00 0.00 34 R 9.22 4.72 0.00 1.39 1.66 0.00 2.72 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 35 K 8.93 3.91 0.00 1.21 1.26 0.00 1.30 0.00 0.00 1.31 0.00 0.00 2.41 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.78 0.21 7.81 36 A 8.77 4.22 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 37 A 8.44 3.81 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 *38 D 8.02 4.67 0.00 2.62 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 39 D 7.79 4.65 0.00 2.64 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 40 T 6.84 4.34 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 1.18 0.00 0.00 41 W 8.43 5.05 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 42 E 8.97 4.50 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 2.34 2.48 0.00 43 P 0.00 4.44 0.00 2.01 2.05 0.00 3.78 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.45 0.00 44 F 9.11 4.91 0.00 3.03 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 45 A 7.66 4.55 1.08 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 0.00 0.00 46 S 7.44 4.58 0.00 3.69 3.63 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 47 G 7.46 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 48 K 7.65 5.31 0.00 1.84 1.82 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 0.96 7.81 49 T 8.91 4.18 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 1.17 0.00 0.00 50 S 9.04 4.94 0.00 3.95 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 51 E 8.74 4.17 0.00 2.22 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 2.32 1.88 0.00 52 S 7.68 4.31 0.00 3.94 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 53 G 8.81 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 0.00 0.00 0.00 54 E 7.79 5.47 0.00 1.90 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 2.38 2.01 0.00 55 P 0.00 5.04 0.00 1.98 1.97 0.00 3.05 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 *56 H 8.65 4.62 0.00 2.70 2.88 0.00 7.35 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 57 G 8.54 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 58 L 7.65 4.00 0.00 1.56 1.68 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.18 4.40 4.22 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 0.00 0.00 1.09 0.00 0.00 60 T 8.09 4.79 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 1.19 0.00 0.00 61 E 9.14 4.04 0.00 2.28 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 0.00 2.32 1.89 0.00 62 E 8.26 4.23 0.00 1.99 1.87 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 2.23 1.90 0.00 63 E 7.94 4.36 0.00 2.16 2.35 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 2.41 2.29 0.00 64 F 8.05 4.73 0.00 3.12 3.05 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 65 V 7.40 4.03 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 0.80 0.00 0.00 0.99 0.00 0.00 66 E 7.95 4.15 0.00 1.91 1.88 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 2.54 2.28 0.00 67 G 7.71 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 0.00 0.00 0.00 68 I 7.10 4.71 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 1.10 0.00 0.00 69 Y 8.90 5.19 0.00 1.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 9.27 4.83 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.00 7.81 71 V 9.28 4.79 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 0.77 0.00 0.00 1.19 0.00 0.00 72 E 9.71 5.06 0.00 1.96 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 2.23 1.90 0.00 73 I 8.90 4.58 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.76 0.00 0.00 74 D 9.13 5.00 0.00 2.65 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 75 T 7.81 3.96 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 76 K 8.08 4.18 0.00 2.21 1.96 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.59 7.81 77 S 8.09 4.21 0.00 3.94 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 78 Y 7.54 3.94 0.00 2.92 2.84 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 79 W 8.38 4.32 0.00 3.50 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 *80 K 8.17 3.91 0.00 1.80 1.83 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 81 A 7.73 4.15 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 82 L 7.33 4.14 0.00 1.79 1.78 0.61 1.28 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 83 G 8.34 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 84 I 7.89 4.54 2.11 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.98 0.73 0.00 0.00 85 S 8.79 4.36 0.00 4.05 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 86 P 0.00 4.65 0.00 2.31 2.24 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 87 F 8.38 3.92 0.00 1.51 2.50 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 88 H 7.88 4.39 0.00 3.28 3.46 0.00 5.95 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 89 E 8.63 4.02 0.00 1.78 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 2.17 2.16 0.00 90 H 7.53 5.06 0.00 3.28 3.26 0.00 5.09 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 91 A 8.47 4.42 0.13 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 92 E 8.82 5.02 0.00 2.16 1.84 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 2.19 1.83 0.00 93 V 9.24 4.47 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 1.08 0.00 0.00 1.00 0.00 0.00 94 V 8.58 5.15 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 1.15 0.00 0.00 0.91 0.00 0.00 95 F 9.12 5.13 0.00 3.24 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 96 T 8.71 4.97 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 1.31 0.00 0.00 97 A 9.29 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *98 N 10.00 5.10 0.00 2.42 2.55 0.00 0.00 7.09 5.70 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 99 D 12.00 4.66 0.00 2.84 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 0.00 100 S 8.69 4.60 0.00 3.57 3.60 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 0.00 0.00 0.00 0.00 101 G 8.23 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 0.00 102 P 0.00 4.27 0.00 2.07 2.04 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 103 R 8.57 4.58 0.00 1.78 1.66 0.00 3.25 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.00 104 R 9.09 4.99 0.00 1.44 1.82 0.00 3.22 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 105 Y 9.35 4.76 0.00 2.77 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 0.00 106 T 8.81 4.88 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 1.17 0.00 0.00 107 I 9.10 4.66 1.83 0.00 0.00 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 1.04 0.85 0.89 0.00 0.00 108 A 8.80 5.30 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 0.00 109 A 8.99 5.13 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.16 5.02 0.00 1.79 1.61 0.98 0.42 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 0.00 111 L 9.37 5.36 0.00 1.81 2.00 0.59 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.26 5.23 0.00 3.90 3.71 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 0.00 113 P 0.00 3.00 0.00 2.04 1.72 0.00 3.27 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.52 0.00 114 Y 7.81 4.43 0.00 2.81 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 0.00 115 S 7.87 4.79 0.00 3.96 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 0.00 116 Y 7.74 5.51 0.00 3.07 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 0.00 117 S 9.03 4.97 0.00 3.93 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 0.00 118 T 8.30 5.22 4.42 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 1.37 0.00 0.00 119 T 9.02 4.83 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 0.00 120 A 8.51 5.03 1.07 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 0.00 0.00 121 V 8.84 4.06 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 0.96 0.00 0.00 0.89 0.00 0.00 122 V 8.20 4.58 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 0.59 0.00 0.00 0.49 0.00 0.00 123 T 8.37 4.27 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 1.17 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.