NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2025 8.3144 121.7899 55.6446 33.6479 175.1446 2 E 3.7865 8.6669 126.9650 54.5443 30.0770 174.9535 3 S 4.4645 8.9538 123.2390 58.0846 66.1989 174.5206 4 A 3.9882 8.5938 124.7408 55.3317 18.1343 180.0679 5 A 3.9505 7.9828 118.5074 55.3906 18.5374 179.6101 6 A 4.0019 8.2246 119.4000 55.0748 18.3214 179.7815 7 K 4.1109 8.4181 119.9507 59.0741 32.1880 178.8485 8 F 4.0704 8.4865 121.0142 61.3356 39.3970 176.9554 9 E 4.0067 8.4186 118.3203 59.3300 29.0214 179.3969 10 R 3.8195 7.9404 117.8473 59.6437 30.3080 178.3308 11 Q 4.0206 8.0043 116.6073 57.9597 28.8547 176.4429 12 H 4.6517 7.9478 113.2865 54.8914 30.6558 172.9500 13 M 4.5997 7.5956 119.4868 53.6426 33.7494 176.2838 14 D 4.7157 8.1882 122.6577 52.4571 41.5124 174.1032 15 S 4.2165 8.1542 117.0927 56.8399 63.8527 174.5995 16 G 4.3044 7.9705 115.8628 45.2502 0.0000 171.9512 17 N 4.5716 8.3120 117.2769 55.3670 39.5661 176.4564 18 S 4.7087 7.5553 112.8403 55.6855 63.4912 172.3974 19 P 4.2377 0.0000 0.0000 65.3050 31.4794 178.3145 20 S 4.5626 7.8148 110.1326 57.5050 63.7164 174.0436 21 S 4.2411 7.8577 117.1699 58.5181 62.8169 175.2477 22 S 4.1871 8.7394 120.2837 61.2727 62.8236 176.6459 23 S 4.2334 7.8981 114.6770 60.6384 62.9179 174.6021 24 N 4.7593 8.2500 117.5850 53.3925 39.1283 176.0035 25 Y 4.0512 8.0910 121.0256 61.2029 38.7873 177.6120 26 C 4.1810 8.4231 117.1765 59.8938 38.7608 175.6748 27 N 4.4262 8.2666 117.6163 56.5449 38.0961 177.2860 28 L 3.9308 7.8142 119.9971 58.0119 41.7463 179.5665 29 M 3.6496 7.9192 118.9615 58.5198 31.6934 178.7549 30 M 4.1561 8.1822 119.2355 58.2970 31.9546 178.4966 31 C 4.2193 7.6613 119.4728 62.1612 31.6470 175.0846 32 C 3.9993 7.9456 119.5138 62.5437 31.1946 174.4072 33 R 4.3422 8.3596 116.2518 55.7660 29.4569 176.2895 34 K 3.8892 7.7640 115.7814 58.5327 29.8449 176.1590 35 M 4.6783 8.4286 115.3870 55.3876 32.4975 177.3187 36 T 4.7772 7.6983 106.1050 60.1726 69.7421 172.6660 37 Q 4.4505 8.2776 121.4857 56.6863 29.6974 174.1328 38 G 4.2017 11.1140 114.7156 45.0805 0.0000 173.0862 39 K 3.7675 6.9152 116.2315 55.2280 35.0146 175.0591 40 C 4.9020 8.5881 117.9222 55.6678 40.4723 173.8850 41 K 4.1168 8.6172 127.5934 56.0487 32.3582 174.8499 42 P 4.7359 0.0000 0.0000 64.8730 32.6598 176.5270 43 V 5.0433 7.6155 118.5489 61.0969 34.6736 174.1626 44 N 4.7668 9.1513 125.0486 52.6124 42.7832 172.8193 45 T 4.7852 7.7663 121.6586 61.6519 70.9801 173.4579 46 F 4.7402 8.9885 124.7429 55.6585 41.8914 174.6505 47 V 4.5229 8.3771 122.1247 61.5055 33.0837 174.7282 48 H 4.8963 9.1404 124.4291 55.8474 29.2558 175.1021 49 E 4.4856 7.9989 118.7799 54.7739 31.1294 176.6062 50 S 4.3322 8.2286 115.0818 58.2540 65.0206 174.8688 51 L 3.9322 8.5803 124.6553 58.4303 41.7314 179.1781 52 A 4.0109 8.0106 120.1136 55.4370 18.1086 179.2278 53 D 4.2826 7.7988 115.8604 57.4135 41.2931 178.9172 54 V 3.7622 7.8515 118.8681 65.8887 31.5563 178.2339 55 K 3.9292 8.5722 118.5269 59.4024 31.8748 179.0191 56 A 4.0068 8.2775 121.0919 55.0771 18.0744 179.7570 57 V 3.7479 7.6792 116.4790 66.2356 31.3287 177.0891 58 C 3.6039 7.9108 114.8633 57.9382 39.8826 174.2137 59 S 4.7231 7.5449 114.3436 57.9128 63.7753 174.7769 60 Q 4.5490 7.7033 120.7894 56.2085 27.6811 177.4815 61 K 4.2150 8.6609 130.4089 56.8059 32.8439 176.5030 62 K 4.0182 8.6383 127.9609 56.8696 31.0334 177.0509 63 V 4.5192 8.1504 116.8884 59.5970 36.4351 175.2260 64 T 4.1233 8.3492 119.6901 63.4111 69.2886 175.7053 65 C 4.6625 8.6366 122.9809 56.5197 40.9566 174.9270 66 K 3.7317 9.3050 122.7429 59.6712 31.7038 177.8332 67 N 4.6115 8.1387 113.0951 52.5818 37.4177 175.9613 68 G 3.9404 8.0969 107.8237 45.6687 0.0000 174.4190 69 Q 4.1994 8.2745 119.2135 56.3104 29.2259 176.5443 70 T 4.5301 8.3644 108.7637 61.4748 69.1937 173.9626 71 N 5.0407 7.9011 118.9118 53.4459 38.3060 174.6791 72 C 5.4671 7.4495 115.5013 57.1391 44.4851 172.7837 73 Y 5.2261 8.8094 117.6512 56.7114 42.3935 173.7286 74 Q 5.1956 9.8341 125.8037 54.0005 31.4879 174.8822 75 S 4.5183 8.8405 121.9779 58.5043 63.0081 174.9322 76 K 4.1361 9.9182 123.6910 58.6965 32.1091 177.1883 77 S 5.0587 7.6430 112.7384 56.2335 66.0003 174.4071 78 T 4.1490 8.2642 111.5008 62.2726 69.6504 173.4304 79 M 5.0324 8.9747 121.8227 53.4693 36.8075 175.0493 80 R 4.5018 9.4140 121.8082 56.0860 31.2471 175.8256 81 I 5.1462 8.9228 117.3269 59.3455 41.9305 174.3013 82 T 5.1377 8.9540 119.5298 62.0096 71.7891 172.8595 83 D 5.0063 9.2294 126.9752 53.4111 43.0920 174.7993 84 C 5.5695 9.3560 120.9268 55.3617 41.2785 173.1471 85 R 5.3317 8.8609 122.8897 53.9309 33.1630 175.0802 86 E 4.1162 9.0537 123.5234 57.1197 30.5981 177.3541 87 T 4.0596 8.4401 115.0040 60.9091 69.7931 175.1048 88 G 3.7077 8.6289 110.3751 48.7617 0.0000 175.4405 89 S 4.1889 7.9115 114.6013 60.3821 63.1823 174.5721 90 S 4.0933 7.3191 116.2453 57.9612 62.6094 173.4055 91 K 4.4675 8.5576 128.3985 54.8981 35.2301 174.3265 92 Y 4.3884 8.8044 127.3962 57.9640 38.9771 173.8151 93 P 3.3424 0.0000 0.0000 62.6319 31.8658 176.9396 94 N 4.6584 7.7472 119.4722 52.3246 36.9733 173.0529 95 C 4.4118 7.9105 116.5634 56.5738 42.0193 173.3295 96 A 5.0370 8.7692 125.9683 50.3320 21.8251 174.3879 97 Y 5.1080 9.2518 119.4991 55.9589 41.9299 175.0331 98 K 4.4527 9.5149 124.8200 55.8952 33.9251 175.2687 99 T 5.1963 8.6193 124.4351 62.4118 70.0933 174.2013 100 T 4.6912 8.8646 116.3062 60.0103 72.1476 172.6390 101 Q 5.1085 8.7737 124.2272 54.4426 30.7512 175.1788 102 V 4.5983 8.6897 115.7927 59.9706 37.1765 173.8957 103 E 5.1294 8.7346 120.7667 54.9050 31.4541 175.8157 104 K 4.7633 8.7365 123.0019 54.6469 37.4305 175.7976 105 H 4.7098 8.9173 119.6024 56.0451 29.8797 174.7455 106 I 4.8300 8.7084 115.5178 59.2498 40.7237 174.3695 107 I 4.8733 8.3288 124.6165 59.7132 39.9220 175.0652 108 V 4.7617 8.5567 119.5769 59.2223 35.7910 174.7392 109 A 4.9364 8.7197 125.1403 51.7148 20.0988 175.7785 110 C 5.4594 9.2025 119.4345 55.3916 44.2916 173.5951 111 G 4.0318 9.2048 108.9951 46.2994 0.0000 172.9595 112 G 4.1666 9.1312 107.7707 44.4779 0.0000 172.0888 113 K 4.6536 8.0772 118.3558 53.6969 34.2581 174.3249 114 P 4.3242 0.0000 0.0000 62.3965 31.8911 176.0301 115 S 4.6426 8.3183 115.7434 58.1334 62.6638 173.5466 116 V 4.6146 8.6204 119.7885 58.4982 36.2972 173.3663 117 P 4.8146 0.0000 0.0000 63.3553 31.1390 176.8647 118 V 4.5091 9.1600 115.9102 61.3118 34.1551 175.2744 119 H 4.9243 8.0302 119.3862 54.6656 33.5625 171.6778 120 F 4.5624 8.6114 127.3211 57.2465 39.5337 174.5269 121 D 4.5391 8.4118 127.0605 56.1862 41.9077 175.9386 122 A 4.6138 6.5571 117.0697 51.4558 22.2913 174.9153 123 S 5.3017 8.9321 113.5955 56.5406 66.3645 174.5742 124 V 4.1397 8.7440 120.4371 62.1188 31.5494 175.0191 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 K 8.31 4.20 0.00 1.74 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.67 3.79 0.00 2.13 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 2.40 2.37 0.00 3 S 8.95 4.46 0.00 4.10 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 4 A 8.59 3.99 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 5 A 7.98 3.95 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 6 A 8.22 4.00 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 7 K 8.42 4.11 0.00 1.93 2.04 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.31 7.81 8 F 8.49 4.07 0.00 3.19 3.23 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 9 E 8.42 4.01 0.00 2.27 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 2.49 2.69 0.00 10 R 7.94 3.82 0.00 1.77 2.06 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 11 Q 8.00 4.02 0.00 1.62 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 12 H 7.95 4.65 0.00 1.74 2.72 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.60 4.60 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 14 D 8.19 4.72 0.00 2.51 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.15 4.22 0.00 3.91 3.80 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 16 G 7.97 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 0.00 0.00 0.00 0.00 17 N 8.31 4.57 0.00 2.73 2.89 0.00 0.00 6.69 7.57 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 18 S 7.56 4.71 0.00 3.82 3.74 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 19 P 0.00 4.24 0.00 2.17 2.19 0.00 3.75 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 1.99 1.96 0.00 20 S 7.81 4.56 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.86 4.24 0.00 3.91 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 22 S 8.74 4.19 0.00 4.01 4.10 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 0.00 0.00 0.00 0.00 23 S 7.90 4.23 0.00 4.08 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 24 N 8.25 4.76 0.00 2.98 2.89 0.00 0.00 6.44 7.05 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 25 Y 8.09 4.05 0.00 3.09 3.03 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 26 C 8.42 4.18 0.00 3.16 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 27 N 8.27 4.43 0.00 2.93 2.93 0.00 0.00 7.15 6.74 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 28 L 7.81 3.93 0.00 1.66 1.56 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.92 3.65 0.00 0.84 1.27 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.50 0.00 30 M 8.18 4.16 0.00 1.69 1.84 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.38 0.00 31 C 7.66 4.22 0.00 3.08 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 32 C 7.95 4.00 0.00 2.87 2.90 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 33 R 8.36 4.34 0.00 1.97 2.02 0.00 3.55 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 34 K 7.76 3.89 0.00 1.94 1.93 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.55 7.81 35 M 8.43 4.68 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.42 0.00 36 T 7.70 4.78 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 1.41 0.00 0.00 37 Q 8.28 4.45 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 38 G 11.11 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 0.00 0.00 0.00 0.00 39 K 6.92 3.77 0.00 1.69 1.59 0.00 1.41 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.32 7.81 40 C 8.59 4.90 0.00 3.23 3.16 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 41 K 8.62 4.12 0.00 1.86 1.80 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.40 7.81 42 P 0.00 4.74 0.00 2.19 2.31 0.00 3.90 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 2.10 1.83 0.00 43 V 7.62 5.04 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 0.97 0.00 0.00 44 N 9.15 4.77 0.00 2.66 2.26 0.00 0.00 6.70 6.77 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 45 T 7.77 4.79 2.69 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 0.90 0.00 0.00 46 F 8.99 4.74 0.00 2.99 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 47 V 8.38 4.52 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 0.87 0.00 0.00 1.05 0.00 0.00 48 H 9.14 4.90 0.00 3.15 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.00 4.49 0.00 1.98 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 2.26 0.00 50 S 8.23 4.33 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 3.93 0.00 1.79 1.73 0.94 1.13 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 52 A 8.01 4.01 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 D 7.80 4.28 0.00 2.86 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 54 V 7.85 3.76 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 1.07 0.00 0.00 1.00 0.00 0.00 55 K 8.57 3.93 0.00 1.97 1.81 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.59 7.81 56 A 8.28 4.01 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 57 V 7.68 3.75 2.19 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 1.14 0.00 0.00 1.08 0.00 0.00 58 C 7.91 3.60 0.00 2.87 2.69 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 59 S 7.54 4.72 0.00 3.91 3.81 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 60 Q 7.70 4.55 0.00 2.29 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 61 K 8.66 4.21 0.00 1.83 1.90 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.40 7.81 62 K 8.64 4.02 0.00 1.57 1.56 0.00 1.50 0.00 0.00 1.26 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.70 1.25 7.81 63 V 8.15 4.52 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 0.75 0.00 0.00 0.85 0.00 0.00 64 T 8.35 4.12 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 1.20 0.00 0.00 65 C 8.64 4.66 0.00 3.16 3.16 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 66 K 9.31 3.73 0.00 1.71 1.90 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.55 7.81 67 N 8.14 4.61 0.00 2.81 2.90 0.00 0.00 6.16 7.00 0.00 0.00 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 G 8.10 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 0.00 0.00 0.00 69 Q 8.27 4.20 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 70 T 8.36 4.53 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 1.23 0.00 0.00 71 N 7.90 5.04 0.00 3.02 3.07 0.00 0.00 6.07 7.68 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 72 C 7.45 5.47 0.00 3.06 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 73 Y 8.81 5.23 0.00 2.87 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 74 Q 9.83 5.20 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 75 S 8.84 4.52 0.00 3.92 3.88 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 0.00 0.00 0.00 76 K 9.92 4.14 0.00 1.75 1.94 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.44 7.81 77 S 7.64 5.06 0.00 3.72 3.74 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 78 T 8.26 4.15 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 1.00 0.00 0.00 79 M 8.97 5.03 0.00 1.93 1.98 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 2.52 2.50 0.00 80 R 9.41 4.50 0.00 1.85 1.91 0.00 3.06 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 81 I 8.92 5.15 1.95 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 1.43 0.89 1.06 0.00 0.00 82 T 8.95 5.14 4.48 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 1.37 0.00 0.00 83 D 9.23 5.01 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 84 C 9.36 5.57 0.00 2.82 2.82 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 85 R 8.86 5.33 0.00 1.81 1.84 0.00 3.18 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 86 E 9.05 4.12 0.00 1.88 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 1.74 1.99 0.00 87 T 8.44 4.06 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 1.20 0.00 0.00 88 G 8.63 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 0.00 0.00 0.00 89 S 7.91 4.19 0.00 3.85 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 90 S 7.32 4.09 0.00 3.75 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.56 4.47 0.00 1.72 1.58 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.40 7.81 92 Y 8.80 4.39 0.00 2.94 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 93 P 0.00 3.34 0.00 1.74 0.93 0.00 3.63 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 94 N 7.75 4.66 0.00 2.88 2.76 0.00 0.00 7.04 7.17 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 95 C 7.91 4.41 0.00 3.12 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 96 A 8.77 5.04 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.25 5.11 0.00 2.97 2.88 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 0.00 0.00 0.00 98 K 9.51 4.45 0.00 1.81 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.59 7.81 99 T 8.62 5.20 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 1.32 0.00 0.00 100 T 8.86 4.69 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 1.25 0.00 0.00 101 Q 8.77 5.11 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.84 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 102 V 8.69 4.60 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 0.72 0.00 0.00 0.96 0.00 0.00 103 E 8.73 5.13 0.00 1.81 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 2.20 2.29 0.00 104 K 8.74 4.76 0.00 1.74 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 8.92 4.71 0.00 3.11 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.71 4.83 1.67 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.21 1.11 0.00 0.00 107 I 8.33 4.87 1.68 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 1.16 0.75 0.82 0.00 0.00 108 V 8.56 4.76 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 0.56 0.00 0.00 0.93 0.00 0.00 109 A 8.72 4.94 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 0.00 110 C 9.20 5.46 0.00 2.80 2.88 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 0.00 0.00 0.00 111 G 9.20 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 0.00 112 G 9.13 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 0.00 0.00 0.00 113 K 8.08 4.65 0.00 1.66 1.65 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.43 7.81 114 P 0.00 4.32 0.00 2.06 1.95 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 115 S 8.32 4.64 0.00 3.85 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 V 8.62 4.61 2.07 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 0.72 0.00 0.00 0.97 0.00 0.00 117 P 0.00 4.81 0.00 1.96 2.01 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 118 V 9.16 4.51 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 0.73 0.00 0.00 1.01 0.00 0.00 119 H 8.03 4.92 0.00 3.15 3.10 0.00 5.65 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 0.00 120 F 8.61 4.56 0.00 3.03 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 0.00 121 D 8.41 4.54 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.56 4.61 1.17 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 0.00 123 S 8.93 5.30 0.00 4.02 4.08 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 0.00 124 V 8.74 4.14 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 0.68 0.00 0.00 0.93 0.00 0.00