NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2633 8.3149 120.1353 56.1717 33.1524 178.0762 3 I 4.2361 8.7298 127.5450 59.2525 39.0056 173.8084 4 K 3.9671 8.8295 125.3364 56.8165 33.8187 176.8793 5 H 4.0410 9.0977 122.3823 59.4811 29.3746 177.1611 6 E 3.9428 8.0614 117.7652 60.0397 29.3542 178.5332 7 H 4.3493 7.5738 115.5713 58.4838 28.7723 177.5945 8 I 3.9156 7.6064 120.5334 63.8607 37.0896 178.3638 9 R 4.1525 7.4384 118.5926 56.0517 30.4793 176.3216 *11 A 4.1622 7.9751 117.0498 51.8195 20.3873 179.4509 *13 N 4.7729 8.2643 118.1101 54.9555 40.7260 177.0012 14 A 4.0748 8.1363 119.2740 55.0836 18.1383 179.1106 15 W 4.5759 8.4936 125.1547 59.4323 30.9819 177.0748 16 A 5.0399 8.1309 120.8255 52.0106 18.8355 178.0912 17 H 4.0038 7.7382 115.7606 59.0935 30.0235 173.8069 18 P 4.4382 0.0000 0.0000 64.9215 31.7292 176.4378 19 D 4.3595 8.0054 123.9567 54.1849 42.1547 174.8452 20 G 3.6494 7.3388 104.2831 44.1149 0.0000 173.6117 21 E 3.4510 8.6378 117.6661 58.8408 29.6398 179.3979 22 K 3.8359 7.9093 118.0599 59.4926 31.8927 179.1513 23 V 3.4499 7.4745 117.9548 65.3427 31.5954 175.8801 24 P 2.9700 0.0000 0.0000 65.0794 31.0996 178.2862 25 A 3.9012 7.7588 118.8010 55.2782 18.3491 179.6058 26 A 3.9895 7.8486 119.1397 55.0989 18.4332 179.8142 27 E 4.0077 8.4816 117.4917 59.7498 29.6713 179.4835 28 I 3.8470 8.1268 120.1947 64.9000 37.1721 178.6505 29 T 3.8827 7.9236 116.4114 66.4939 68.2052 176.7585 30 R 4.0748 8.1405 120.1639 59.5452 30.2144 178.4406 31 A 4.0575 8.2967 120.6353 55.1754 17.8269 178.7268 32 Y 3.9659 8.5530 118.4603 61.2501 38.9515 178.7606 33 F 4.3444 8.4985 118.2952 60.3705 38.7712 177.6607 34 E 4.1307 8.3193 117.9927 58.9639 29.3657 178.4197 35 L 4.4853 8.0241 116.8049 53.5253 42.3499 174.8409 36 G 3.6126 7.4597 112.6871 45.4889 0.0000 173.8137 *38 T 4.4161 8.0796 114.3619 60.4717 70.7573 174.1942 39 F 4.8285 7.9631 123.8998 55.4995 42.0726 172.2846 40 P 3.7299 0.0000 0.0000 61.7965 31.9229 175.2413 41 E 4.3362 8.4556 118.3532 55.9704 29.7576 176.6455 42 L 4.4542 8.1449 123.0230 52.6941 45.1684 175.7062 43 Y 4.5953 7.6678 120.7601 57.6167 38.3959 176.0250 44 D 4.7797 8.6862 125.3268 52.4777 41.7690 175.4854 45 D 4.5082 8.3140 116.8176 55.3966 39.6741 177.0719 46 S 4.3128 8.2339 113.7984 58.9040 61.8980 172.6786 47 H 5.0329 7.7332 114.6293 52.4957 33.6276 173.8585 48 P 4.3896 0.0000 0.0000 64.0457 30.4002 179.3152 49 E 4.3765 9.2706 127.8885 55.6670 27.8881 175.8640 50 A 4.1813 7.8917 124.9280 55.6784 18.6294 179.0383 51 L 3.9087 8.0601 117.7260 58.3959 41.3000 178.8547 52 A 4.1232 7.9327 120.0384 54.6932 18.1023 179.4296 53 R 4.1780 8.2212 117.9506 58.7044 30.3134 177.3335 54 N 4.3698 7.9788 114.5241 53.1864 37.2958 176.4964 55 T 3.9829 7.4394 115.4009 64.8446 67.5441 176.1835 56 Q 3.8914 7.4106 122.3258 58.8588 29.1926 177.9570 57 K 3.1289 6.9881 119.0314 59.1613 32.0313 179.0665 58 I 3.5756 6.8825 119.5759 64.6926 37.0724 178.4940 59 F 4.1322 7.6586 116.2908 59.5740 38.5384 177.7298 60 R 3.9470 7.3484 117.7249 58.6307 30.1989 177.9224 61 W 4.6330 7.6113 118.5180 59.2995 29.0298 178.7311 62 V 3.7515 7.6620 117.6670 65.9420 31.0582 177.6968 63 E 4.1920 8.0322 115.9118 57.8341 29.7366 177.2342 64 K 4.4706 7.1255 117.4311 55.6746 33.4532 175.9044 65 D 4.8261 8.3026 116.3361 53.5501 42.5721 177.0049 66 T 4.1162 7.7209 111.0279 60.8112 70.9127 173.2082 67 P 4.1872 0.0000 0.0000 66.3303 31.2579 178.3804 68 D 4.2937 8.0619 115.7648 56.9117 40.8055 178.0696 69 A 3.8750 7.6213 121.0563 55.0385 18.3994 179.5547 70 V 3.3746 7.9872 117.2268 66.2676 31.5894 177.8828 71 E 3.9142 8.1741 118.8162 59.2195 29.2868 178.8516 72 K 3.4210 7.2906 117.0531 58.4592 32.1174 179.0706 73 I 3.8266 7.0915 120.0723 64.0595 37.2502 178.0623 74 Q 3.9731 7.7983 118.3522 59.0157 28.3114 178.8856 75 A 4.0656 7.6417 120.5725 54.9607 18.6969 179.1573 76 L 4.1770 7.9207 116.7384 56.5267 41.7208 179.2714 77 L 3.8820 7.4420 119.5317 57.5328 41.6382 177.3855 78 P 4.2047 0.0000 0.0000 65.9851 31.1520 178.4765 79 A 4.1544 8.1991 118.9814 54.7824 18.0278 179.8954 80 I 3.8852 7.5164 117.5636 64.7124 37.5270 178.0444 81 E 4.0439 8.8578 118.9533 58.7240 29.2918 178.8679 82 K 4.1558 7.8613 119.1997 57.7521 33.3593 177.2919 83 S 4.7042 7.5439 113.5959 56.5444 62.8425 172.5921 *85 P 3.9748 0.0000 0.0000 62.3678 33.0734 176.3414 86 P 4.1128 0.0000 0.0000 65.7412 31.2555 178.2709 87 L 3.9058 7.8056 118.2985 58.3205 41.8628 178.9563 88 L 3.9775 7.5045 117.4445 57.5082 41.5009 179.4380 89 V 3.5586 7.4008 117.0202 65.7974 31.6344 177.4298 90 A 4.0920 7.8425 119.3893 55.0824 18.4836 180.2687 91 R 3.8229 7.6837 112.8496 57.4029 30.0360 178.6727 *93 R 4.2312 7.9705 118.3983 55.6031 32.1817 177.7603 94 S 4.2829 7.8017 113.3935 61.5174 63.0236 176.0995 95 H 4.3069 8.0196 116.6101 57.2710 28.5697 175.7776 96 S 4.6308 7.5256 111.4269 57.4779 65.1048 173.9932 97 S 4.7776 8.2928 116.4541 56.1157 64.0886 174.5745 98 A 4.1112 8.7056 129.5770 55.0891 18.1956 178.8905 99 Y 4.0812 8.0273 117.7861 61.1479 39.0194 178.3138 100 F 3.7655 8.3009 118.4047 59.9826 38.9126 177.7976 101 R 3.8949 7.8463 118.4896 59.2953 29.9235 178.1157 102 E 3.9258 8.2435 119.2094 58.8151 29.6479 178.5780 103 L 3.7136 7.5976 120.5856 58.1675 42.2049 179.2252 104 V 3.6045 7.6919 118.1198 65.8744 31.3830 177.8815 105 E 3.9427 8.1067 118.5599 59.7101 29.3171 179.4121 106 T 3.8858 7.9371 115.7911 66.4590 68.4237 176.7611 107 R 3.8785 7.8226 120.6200 59.4279 30.1180 178.4681 108 E 3.9933 8.0774 118.4200 59.3916 29.4367 179.5763 109 R 3.9485 8.0655 118.1972 59.0785 30.0682 179.0348 110 L 3.9413 7.8602 118.8278 57.7725 41.6679 179.7377 111 V 3.5792 7.7716 118.0589 66.1519 31.4589 178.2473 112 R 3.9425 8.4907 118.1033 59.4335 29.7823 178.8088 113 D 4.3898 8.6837 118.8119 57.2719 40.6133 178.7288 114 A 4.1784 8.1551 121.4628 55.2195 18.3728 179.4439 115 D 4.3692 8.2136 117.5318 57.4600 40.9092 178.6626 116 D 4.4394 8.2481 119.5626 56.9517 40.7057 178.8718 117 F 4.5086 7.8911 118.4203 60.6844 38.9569 177.6127 118 V 3.6207 7.7021 117.6912 65.9925 31.1909 177.7771 119 A 3.9866 8.0779 120.2909 55.2757 18.3969 179.5537 120 V 3.4920 7.9248 116.4344 66.4024 31.3533 178.1573 121 A 4.0542 7.9626 118.8073 54.6301 18.3441 179.2777 122 I 3.8145 7.9137 117.5742 64.2962 37.9270 177.7895 123 A 3.8310 8.5696 121.2966 55.1428 18.2472 179.2254 124 G 3.1545 7.9698 101.7275 45.6893 0.0000 173.7578 125 F 4.2645 8.4407 122.1563 57.1696 40.0851 175.4211 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 2 K 8.31 4.26 0.00 1.76 1.23 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 3 I 8.73 4.24 1.86 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 1.38 0.65 0.92 0.00 0.00 4 K 8.83 3.97 0.00 1.63 1.63 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.47 7.81 5 H 9.10 4.04 0.00 3.22 3.31 0.00 5.88 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.06 3.94 0.00 2.06 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 2.02 2.16 0.00 7 H 7.57 4.35 0.00 3.25 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.61 3.92 1.91 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 1.50 0.61 0.88 0.00 0.00 9 R 7.44 4.15 0.00 1.78 2.15 0.00 3.33 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 *11 A 7.98 4.16 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 *13 N 8.26 4.77 0.00 2.88 2.99 0.00 0.00 6.87 7.27 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 14 A 8.14 4.07 1.40 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 0.00 0.00 15 W 8.49 4.58 0.00 3.43 3.30 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 16 A 8.13 5.04 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 17 H 7.74 4.00 0.00 3.39 3.37 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.44 0.00 2.27 2.04 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 19 D 8.01 4.36 0.00 2.67 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 20 G 7.34 3.65 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 21 E 8.64 3.45 0.00 1.70 1.61 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 0.00 1.63 1.47 0.00 22 K 7.91 3.84 0.00 1.73 1.81 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 23 V 7.47 3.45 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 1.18 0.00 0.00 0.88 0.00 0.00 24 P 0.00 2.97 0.00 1.96 0.69 0.00 3.54 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.75 0.00 25 A 7.76 3.90 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 26 A 7.85 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.48 4.01 0.00 2.37 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 2.70 2.97 0.00 28 I 8.13 3.85 1.84 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 1.76 0.85 0.93 0.00 0.00 29 T 7.92 3.88 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 1.44 0.00 0.00 30 R 8.14 4.07 0.00 2.03 2.20 0.00 3.17 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 31 A 8.30 4.06 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 32 Y 8.55 3.97 0.00 3.02 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 33 F 8.50 4.34 0.00 3.34 3.08 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 34 E 8.32 4.13 0.00 2.15 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 2.42 2.73 0.00 35 L 8.02 4.49 0.00 1.74 1.65 0.96 0.77 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 36 G 7.46 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 T 8.08 4.42 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 1.25 0.00 0.00 39 F 7.96 4.83 0.00 2.92 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 40 P 0.00 3.73 0.00 1.79 0.91 0.00 3.59 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.40 0.00 41 E 8.46 4.34 0.00 2.07 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 2.46 2.48 0.00 42 L 8.14 4.45 0.00 0.48 0.95 0.69 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.67 4.60 0.00 3.03 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 44 D 8.69 4.78 0.00 2.28 2.67 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 45 D 8.31 4.51 0.00 2.91 2.92 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 46 S 8.23 4.31 0.00 4.02 4.16 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 47 H 7.73 5.03 0.00 3.33 3.15 0.00 5.91 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.39 0.00 2.03 1.69 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 49 E 9.27 4.38 0.00 2.03 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 2.38 2.37 0.00 50 A 7.89 4.18 1.46 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 0.00 0.00 0.00 51 L 8.06 3.91 0.00 1.79 1.70 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.93 4.12 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 53 R 8.22 4.18 0.00 2.23 2.21 0.00 3.51 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.05 0.00 54 N 7.98 4.37 0.00 2.67 2.57 0.00 0.00 6.62 7.29 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 55 T 7.44 3.98 4.33 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 1.21 0.00 0.00 56 Q 7.41 3.89 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 57 K 6.99 3.13 0.00 1.27 0.74 0.00 1.20 0.00 0.00 1.30 0.00 0.00 2.77 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.99 1.22 7.81 58 I 6.88 3.58 1.56 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 1.47 0.82 0.49 0.00 0.00 59 F 7.66 4.13 0.00 3.11 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 60 R 7.35 3.95 0.00 1.77 1.78 0.00 3.17 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 61 W 7.61 4.63 0.00 3.62 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 62 V 7.66 3.75 2.23 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 0.89 0.00 0.00 0.74 0.00 0.00 63 E 8.03 4.19 0.00 2.19 2.13 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 2.62 2.39 0.00 64 K 7.13 4.47 0.00 1.91 1.83 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.58 7.81 65 D 8.30 4.83 0.00 2.60 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 0.00 0.00 0.00 0.00 66 T 7.72 4.12 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 67 P 0.00 4.19 0.00 2.16 2.16 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 68 D 8.06 4.29 0.00 2.80 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 69 A 7.62 3.88 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 70 V 7.99 3.37 2.13 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 0.94 0.00 0.00 0.76 0.00 0.00 71 E 8.17 3.91 0.00 2.07 1.96 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 2.44 2.41 0.00 72 K 7.29 3.42 0.00 0.79 0.74 0.00 1.10 0.00 0.00 0.76 0.00 0.00 2.96 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.79 1.23 7.81 73 I 7.09 3.83 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.33 0.87 0.00 0.00 74 Q 7.80 3.97 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 75 A 7.64 4.07 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 76 L 7.92 4.18 0.00 1.86 1.69 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.44 3.88 0.00 1.89 1.73 0.90 1.19 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 78 P 0.00 4.20 0.00 2.16 2.13 0.00 3.75 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 2.12 2.18 0.00 79 A 8.20 4.15 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.52 3.89 2.06 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 1.75 0.78 0.98 0.00 0.00 81 E 8.86 4.04 0.00 1.83 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 2.28 2.44 0.00 82 K 7.86 4.16 0.00 1.85 2.02 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.53 7.81 83 S 7.54 4.70 0.00 4.20 4.02 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 0.00 0.00 0.00 *85 P 0.00 3.97 0.00 1.96 1.92 0.00 2.44 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 86 P 0.00 4.11 0.00 2.12 2.12 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 87 L 7.81 3.91 0.00 1.72 1.61 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.50 3.98 0.00 1.59 1.58 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.40 3.56 2.15 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 0.66 0.00 0.00 0.79 0.00 0.00 90 A 7.84 4.09 1.46 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 0.00 0.00 0.00 91 R 7.68 3.82 0.00 1.99 1.93 0.00 3.31 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 *93 R 7.97 4.23 0.00 1.02 1.57 0.00 2.21 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 0.00 94 S 7.80 4.28 0.00 3.97 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 95 H 8.02 4.31 0.00 2.89 3.22 0.00 5.83 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.53 4.63 0.00 4.09 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 97 S 8.29 4.78 0.00 4.06 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 98 A 8.71 4.11 1.37 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 0.00 0.00 0.00 99 Y 8.03 4.08 0.00 2.97 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 0.00 100 F 8.30 3.77 0.00 3.14 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 0.00 101 R 7.85 3.89 0.00 2.19 2.10 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 102 E 8.24 3.93 0.00 2.14 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 2.25 2.28 0.00 103 L 7.60 3.71 0.00 1.48 1.56 0.55 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.69 3.60 2.18 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 0.95 0.00 0.00 0.96 0.00 0.00 105 E 8.11 3.94 0.00 2.25 1.95 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 2.31 2.32 0.00 106 T 7.94 3.89 4.30 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 1.18 0.00 0.00 107 R 7.82 3.88 0.00 1.85 2.08 0.00 3.24 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 108 E 8.08 3.99 0.00 2.21 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 2.51 2.48 0.00 109 R 8.07 3.95 0.00 1.98 1.94 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 110 L 7.86 3.94 0.00 1.87 1.71 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.77 3.58 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 1.04 0.00 0.00 0.97 0.00 0.00 112 R 8.49 3.94 0.00 2.01 1.94 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 113 D 8.68 4.39 0.00 2.73 2.54 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 0.00 114 A 8.16 4.18 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 0.00 115 D 8.21 4.37 0.00 2.88 2.74 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 0.00 116 D 8.25 4.44 0.00 2.75 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 0.00 117 F 7.89 4.51 0.00 3.24 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 0.00 118 V 7.70 3.62 2.27 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 1.04 0.00 0.00 1.02 0.00 0.00 119 A 8.08 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 3.49 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 1.04 0.00 0.00 0.99 0.00 0.00 121 A 7.96 4.05 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 0.00 122 I 7.91 3.81 2.14 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 1.50 1.26 0.98 0.00 0.00 123 A 8.57 3.83 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 0.00 124 G 7.97 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 0.00 0.00 0.00 125 F 8.44 4.26 0.00 3.07 3.39 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 * Residues marked with a * may have inaccurate shift predictions.