NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.5639 8.3293 117.6271 57.6373 28.7524 172.9695 11 P 4.6092 0.0000 0.0000 62.4628 32.9827 174.5114 12 L 5.1215 7.6908 122.5933 53.9197 45.3895 175.9036 13 M 4.9106 9.1223 125.0778 53.8301 36.3317 173.5444 14 V 4.8550 8.3898 124.4368 60.9015 34.8030 174.0274 15 K 5.0089 9.0899 128.4709 54.5575 35.4755 174.7441 16 V 4.7751 8.9572 126.7096 61.0816 34.6288 174.1481 17 L 5.0908 8.8619 127.0332 52.9312 45.8214 174.9668 18 D 5.1372 9.0731 121.6865 52.9058 42.1996 176.5704 19 A 4.3541 9.2779 128.4016 53.3756 18.5770 178.4992 20 V 3.8785 8.8963 115.8677 65.1411 31.8838 177.1921 21 R 4.3077 8.4584 115.5937 55.4814 31.3610 175.7292 22 G 3.8156 8.6977 105.6358 45.5002 0.0000 172.6933 23 S 4.8201 7.2868 111.6613 55.9651 66.9956 173.3079 24 P 4.6014 0.0000 0.0000 62.9686 32.1220 175.6939 25 A 4.4051 8.7610 124.5252 51.1632 19.6484 176.3097 26 I 4.3220 8.3907 123.0087 61.0570 39.0997 175.7688 27 N 4.2219 8.5838 121.4952 54.1630 36.6061 174.2388 28 V 3.9634 7.7654 119.3186 62.3348 32.7654 175.1715 29 A 4.5912 8.5932 129.8532 51.8097 19.9874 176.0657 30 V 4.7865 8.9760 121.5574 61.3391 35.0549 173.8993 31 H 5.0419 9.3901 124.9048 53.8404 31.9729 172.8135 32 V 4.8380 8.8890 123.2695 61.1180 34.1093 174.3562 33 F 5.5874 9.3929 125.5533 55.7278 43.3386 173.8278 34 R 4.7708 9.3694 120.9813 54.0694 33.1139 174.4894 35 K 3.9847 8.7490 128.4104 56.4172 32.7998 176.4576 36 A 4.4677 8.8872 129.4927 50.3821 20.5576 177.9926 37 A 3.8907 8.5585 121.8169 55.0971 18.4897 177.9134 38 D 4.6162 7.8963 113.9418 53.6967 39.7355 176.4117 39 D 4.2082 7.9425 116.6070 55.8923 39.2284 173.5249 40 T 4.4492 7.2899 109.4041 59.5469 71.6989 173.9443 41 W 4.7841 8.6201 125.8693 57.3223 29.6562 176.1228 42 E 4.7918 9.3456 124.3371 54.3873 31.2940 170.6081 43 P 4.5630 0.0000 0.0000 62.9598 31.3943 175.3942 44 F 4.8293 8.7707 126.0095 59.3301 41.6020 174.8797 45 A 4.3996 7.6517 116.8977 51.7575 22.0762 174.9959 46 S 4.6378 7.8413 112.7479 57.6499 66.3024 173.6791 47 G 3.9692 7.9617 105.5918 46.4107 0.0000 172.0323 48 K 5.3080 8.5081 117.9383 54.3517 36.0900 177.0065 49 T 4.2533 8.6906 114.3830 61.9690 70.2576 174.9533 50 S 4.6377 8.8629 120.9711 57.9127 65.2045 175.0732 51 E 3.9429 8.7152 115.3640 58.9111 29.3515 173.5799 52 S 4.4158 7.8624 109.5231 58.4804 63.7129 175.1898 53 G 3.9560 8.4957 110.4150 45.1165 0.0000 172.6555 54 E 5.0614 7.6350 118.4344 54.2390 32.9821 175.0775 55 L 4.8129 8.7891 124.0753 53.9726 44.6916 175.2725 56 H 4.8246 8.8967 123.0156 54.6763 32.0771 175.1188 57 G 3.8872 8.6927 105.4375 46.2559 0.0000 175.7451 58 L 3.7553 7.8224 121.2707 57.5755 41.6915 176.5393 59 T 4.4106 6.9821 108.5891 61.3947 70.8360 171.7245 60 T 4.7298 8.1516 114.4546 59.8194 71.5916 175.4777 61 E 4.1638 9.0071 120.6487 59.7947 30.0364 179.7560 62 E 4.3008 8.3392 114.2627 58.9597 29.8909 180.3664 63 E 4.3456 8.1036 117.8654 58.3857 30.2546 177.5768 64 F 5.0851 7.9991 122.9268 57.2018 37.6576 174.5181 65 V 3.9991 7.5169 117.2261 59.9270 33.0916 175.7581 66 E 4.5460 8.0716 121.7139 55.8673 30.2013 176.4755 67 G 3.7493 7.7861 110.4486 46.7624 0.0000 170.2301 68 I 4.8698 7.1901 119.9892 59.7753 39.2433 174.9122 69 Y 5.0802 8.7146 124.6537 55.8551 41.6742 174.5511 70 K 4.7914 9.0952 123.3537 54.6013 35.3004 174.7901 71 V 4.7041 9.2026 128.2151 61.3630 33.5435 173.7207 72 E 4.9002 9.4237 130.4120 54.6412 31.6794 174.3623 73 I 4.6135 8.6139 128.7207 59.8097 38.9149 175.7537 74 D 5.0502 8.9507 130.3267 53.5845 37.9901 177.1178 75 T 3.9402 7.7989 114.3005 64.2011 69.3583 176.7390 76 K 4.1483 7.8726 121.5246 59.7138 32.3232 179.0532 77 S 4.1692 8.1186 114.9186 61.2577 62.8956 176.3100 78 F 4.0365 7.9031 122.6602 61.1760 39.0720 177.3239 79 W 4.2525 8.2596 118.5449 59.5732 28.7598 178.6104 80 K 4.2034 8.8285 120.0006 58.9984 31.3399 179.2494 81 A 3.8410 7.6492 118.9039 54.4093 18.2778 178.5846 82 L 4.3822 7.0514 114.4476 54.3415 41.8225 177.3630 83 G 3.9348 8.6414 107.4463 45.8368 0.0000 173.4860 84 I 4.4325 8.0472 120.1407 59.2051 39.5645 175.3041 85 S 4.7430 8.5273 121.1598 56.4450 62.4169 172.3136 86 P 4.4115 0.0000 0.0000 61.3140 32.8405 176.3405 87 F 3.8556 8.0472 120.4093 60.8641 39.2959 175.6964 88 H 4.5912 7.8121 115.3780 54.9073 29.5203 175.2854 89 E 4.0891 8.6296 121.5688 59.5865 29.6174 176.2084 90 H 4.8271 7.7663 110.3600 55.6714 31.6873 172.4849 91 A 4.3805 8.7399 122.8949 50.7185 20.7801 176.4957 92 E 5.1725 8.8496 119.3790 54.6025 33.9015 173.2713 93 V 4.4545 8.8745 122.5880 60.7860 34.5295 174.2479 94 V 5.1731 8.6227 128.0932 61.1381 33.6473 174.4528 95 F 5.1236 8.8915 121.3747 56.0411 41.5732 173.3076 96 T 4.7764 8.7114 117.1455 63.2462 69.5097 174.0026 97 A 4.7129 8.9319 127.2942 50.4344 22.6837 175.5857 98 N 4.7743 9.2607 115.2029 53.5954 36.6397 175.2804 99 D 4.6318 8.3244 116.1918 54.0852 40.3114 176.4480 *100 S 4.5538 8.1604 113.7417 58.1398 63.1065 173.6470 101 G 4.0625 8.3130 104.7916 43.4624 0.0000 171.9096 102 P 4.7217 0.0000 0.0000 63.0120 31.7779 176.1131 103 R 4.7452 8.7738 122.3111 55.1242 34.6918 175.1963 104 R 4.8145 8.6018 121.0763 55.7528 31.6651 175.2818 105 Y 5.0537 9.1092 122.1605 55.5566 41.0337 174.7342 106 T 4.9969 9.0988 121.4254 61.9070 71.2547 173.3658 107 I 4.6358 8.7569 128.2086 59.7801 38.9465 174.5051 108 A 5.2890 9.0042 129.6498 49.9842 21.8330 174.9607 109 A 5.0970 8.9343 122.7550 49.9643 22.7913 174.6356 110 L 4.9761 9.1178 124.7171 53.3158 44.5254 174.9085 111 L 5.3727 8.9207 126.6885 53.3162 44.1520 175.9142 112 S 5.2230 9.4298 118.9618 56.0229 66.8772 173.4751 113 P 3.1967 0.0000 0.0000 65.1270 31.1270 177.8040 114 Y 4.6841 7.6833 112.5575 57.0882 38.6882 174.9364 115 S 4.7203 8.0185 112.9735 57.6880 65.7084 172.9588 116 Y 5.5963 7.8021 122.7574 55.7936 41.0028 173.8434 117 S 4.9574 9.2392 114.5063 56.9450 66.6417 172.7363 118 T 5.2377 8.4676 114.6013 60.9499 70.5558 172.9818 119 T 4.8199 9.1145 123.1995 61.7723 73.1427 172.4458 120 A 5.1157 8.6398 126.4097 50.1598 21.5345 175.8021 121 V 4.2686 8.6858 122.7820 61.0067 33.8696 174.5127 122 V 4.7697 8.3971 127.6641 61.2129 33.6274 174.4738 123 T 4.6984 8.7162 119.8529 60.4501 72.4915 174.7203 124 N 4.5401 8.5500 118.3745 52.4807 38.2306 175.6521 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 8.33 4.56 0.00 2.75 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 11 P 0.00 4.61 0.00 2.56 2.51 0.00 3.68 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 2.03 2.17 0.00 12 L 7.69 5.12 0.00 0.93 1.16 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.12 4.91 0.00 1.98 1.74 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.50 0.00 14 V 8.39 4.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.88 0.00 0.00 15 K 9.09 5.01 0.00 1.74 1.53 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.29 7.81 16 V 8.96 4.78 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 0.68 0.00 0.00 0.78 0.00 0.00 17 L 8.86 5.09 0.00 1.58 1.51 0.92 1.03 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 18 D 9.07 5.14 0.00 2.71 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 19 A 9.28 4.35 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 20 V 8.90 3.88 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 0.92 0.00 0.00 1.08 0.00 0.00 21 R 8.46 4.31 0.00 2.30 2.02 0.00 3.48 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.17 0.00 22 G 8.70 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 0.00 0.00 0.00 23 S 7.29 4.82 0.00 3.89 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 4.60 0.00 2.12 2.18 0.00 3.76 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 2.07 1.97 0.00 25 A 8.76 4.41 0.54 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 26 I 8.39 4.32 1.90 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 1.59 0.80 0.91 0.00 0.00 27 N 8.58 4.22 0.00 3.19 2.94 0.00 0.00 6.93 7.43 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 28 V 7.77 3.96 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 0.82 0.00 0.00 0.55 0.00 0.00 29 A 8.59 4.59 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 30 V 8.98 4.79 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 1.00 0.00 0.00 0.84 0.00 0.00 31 H 9.39 5.04 0.00 3.02 2.73 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.89 4.84 2.30 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 1.20 0.00 0.00 0.93 0.00 0.00 33 F 9.39 5.59 0.00 2.91 3.21 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 34 R 9.37 4.77 0.00 1.36 1.69 0.00 2.86 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 35 K 8.75 3.98 0.00 1.03 1.30 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.97 0.84 7.81 36 A 8.89 4.47 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 37 A 8.56 3.89 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 38 D 7.90 4.62 0.00 2.75 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 39 D 7.94 4.21 0.00 3.01 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 40 T 7.29 4.45 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 1.29 0.00 0.00 41 W 8.62 4.78 0.00 3.02 2.97 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 42 E 9.35 4.79 0.00 1.64 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 2.19 2.15 0.00 43 P 0.00 4.56 0.00 2.01 2.10 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 44 F 8.77 4.83 0.00 3.05 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 45 A 7.65 4.40 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 46 S 7.84 4.64 0.00 3.62 3.56 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 47 G 7.96 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 48 K 8.51 5.31 0.00 1.55 1.62 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.36 7.81 49 T 8.69 4.25 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 1.17 0.00 0.00 50 S 8.86 4.64 0.00 4.00 4.07 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 51 E 8.72 3.94 0.00 2.01 1.92 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 2.23 1.88 0.00 52 S 7.86 4.42 0.00 3.99 3.99 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 0.00 0.00 0.00 53 G 8.50 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 0.00 0.00 0.00 54 E 7.63 5.06 0.00 1.95 1.72 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 2.18 2.37 0.00 55 L 8.79 4.81 0.00 1.61 1.53 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.90 4.82 0.00 3.03 3.18 0.00 5.82 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 8.69 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 58 L 7.82 3.76 0.00 1.54 1.67 0.85 0.73 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 6.98 4.41 4.18 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 0.93 0.00 0.00 60 T 8.15 4.73 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 1.21 0.00 0.00 61 E 9.01 4.16 0.00 2.01 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 1.88 0.00 62 E 8.34 4.30 0.00 1.98 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 2.23 1.91 0.00 63 E 8.10 4.35 0.00 2.09 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 2.38 2.37 0.00 64 F 8.00 5.09 0.00 3.16 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 V 7.52 4.00 2.11 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 0.86 0.00 0.00 1.02 0.00 0.00 66 E 8.07 4.55 0.00 1.95 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 2.26 2.30 0.00 67 G 7.79 3.75 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 0.00 0.00 0.00 68 I 7.19 4.87 1.69 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.99 0.00 0.00 69 Y 8.71 5.08 0.00 1.81 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 70 K 9.10 4.79 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.00 7.81 71 V 9.20 4.70 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 0.96 0.00 0.00 1.14 0.00 0.00 72 E 9.42 4.90 0.00 1.97 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 0.00 2.26 1.92 0.00 73 I 8.61 4.61 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 1.14 0.44 0.75 0.00 0.00 74 D 8.95 5.05 0.00 2.77 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 7.80 3.94 4.43 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 1.12 0.00 0.00 76 K 7.87 4.15 0.00 2.22 1.90 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.55 7.81 77 S 8.12 4.17 0.00 3.95 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 78 F 7.90 4.04 0.00 2.95 2.97 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 79 W 8.26 4.25 0.00 3.51 3.28 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 0.00 80 K 8.83 4.20 0.00 1.96 1.89 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.20 7.81 81 A 7.65 3.84 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 82 L 7.05 4.38 0.00 1.84 1.70 0.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.64 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 84 I 8.05 4.43 2.17 0.00 0.00 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 1.29 0.92 0.73 0.00 0.00 85 S 8.53 4.74 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 86 P 0.00 4.41 0.00 2.17 1.83 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 87 F 8.05 3.86 0.00 1.62 2.55 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 88 H 7.81 4.59 0.00 3.31 3.46 0.00 5.95 0.00 0.00 0.00 0.00 6.94 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 4.09 0.00 1.78 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 2.26 2.14 0.00 90 H 7.77 4.83 0.00 3.27 3.25 0.00 5.11 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 8.74 4.38 0.42 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 0.00 0.00 92 E 8.85 5.17 0.00 1.72 1.68 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 2.11 1.83 0.00 93 V 8.87 4.45 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 0.80 0.00 0.00 0.97 0.00 0.00 94 V 8.62 5.17 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 1.18 0.00 0.00 0.93 0.00 0.00 95 F 8.89 5.12 0.00 3.14 3.06 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 96 T 8.71 4.78 4.32 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 1.23 0.00 0.00 97 A 8.93 4.71 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.26 4.77 0.00 2.72 2.86 0.00 0.00 6.94 8.56 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 99 D 8.32 4.63 0.00 3.05 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 *100 S 8.16 4.55 0.00 3.80 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 0.00 101 G 8.31 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 4.72 0.00 2.09 2.07 0.00 3.64 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 2.06 2.15 0.00 103 R 8.77 4.75 0.00 1.21 1.40 0.00 3.19 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 104 R 8.60 4.81 0.00 1.48 1.80 0.00 3.21 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 105 Y 9.11 5.05 0.00 2.95 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 0.00 106 T 9.10 5.00 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 1.18 0.00 0.00 107 I 8.76 4.64 1.82 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.97 0.86 0.00 0.00 108 A 9.00 5.29 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 0.00 109 A 8.93 5.10 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 0.00 110 L 9.12 4.98 0.00 1.78 1.59 0.98 0.53 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 0.00 111 L 8.92 5.37 0.00 1.79 2.03 0.38 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 0.00 112 S 9.43 5.22 0.00 3.93 3.75 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 0.00 113 P 0.00 3.20 0.00 2.08 1.62 0.00 3.33 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.60 0.00 114 Y 7.68 4.68 0.00 2.81 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 0.00 115 S 8.02 4.72 0.00 3.80 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 0.00 116 Y 7.80 5.60 0.00 3.13 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 0.00 117 S 9.24 4.96 0.00 3.91 3.99 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 0.00 0.00 0.00 118 T 8.47 5.24 4.38 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 1.33 0.00 0.00 119 T 9.11 4.82 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 0.00 120 A 8.64 5.12 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 0.00 121 V 8.69 4.27 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 0.83 0.00 0.00 0.91 0.00 0.00 122 V 8.40 4.77 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 0.52 0.00 0.00 0.92 0.00 0.00 123 T 8.72 4.70 4.19 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 1.16 0.00 0.00 124 N 8.55 4.54 0.00 2.74 2.59 0.00 0.00 6.56 7.56 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 * Residues marked with a * may have inaccurate shift predictions.