NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4936 8.3344 116.7959 57.8392 64.6125 172.7217 2 N 4.5832 7.9275 119.8958 53.6236 44.8542 173.7141 3 I 3.9788 8.5859 118.1294 62.7146 39.4191 175.4989 4 I 3.8834 7.4976 120.3913 61.7835 37.5852 172.8683 5 K 4.0173 7.9095 119.3996 57.0635 30.9224 177.5197 6 Q 3.4342 7.7111 119.1320 58.8551 29.6639 179.2687 7 L 4.3919 7.3966 117.6716 56.3059 42.7941 177.7668 8 E 4.2948 7.9949 117.9670 58.7067 30.2246 178.2793 9 Q 3.7416 8.9298 118.6248 58.6439 28.2914 177.5569 10 E 4.1996 7.4806 118.0360 57.6923 29.8601 176.9458 11 Q 4.5449 8.7984 118.3338 56.2407 31.2242 176.1312 12 M 3.9699 7.2455 116.7105 54.8107 32.4859 176.4010 13 K 4.2939 8.6595 121.9785 56.5526 33.2412 177.5146 14 Q 4.6446 7.9062 119.7589 52.8348 27.9359 174.1889 15 D 4.3540 7.7860 118.8993 53.7673 42.6877 176.7307 16 V 3.4973 8.1265 114.2886 61.1210 31.2781 174.0013 17 P 4.4358 0.0000 0.0000 62.3819 32.0356 175.2802 18 S 4.3189 8.2354 112.8359 56.9820 63.4302 171.5081 19 F 4.4149 7.9004 125.9870 54.7733 39.1999 173.9123 20 R 4.2407 8.6474 125.2796 55.5551 31.6257 173.5718 21 P 4.4989 0.0000 0.0000 64.3083 31.8965 174.6485 22 G 4.2024 9.2337 112.1286 46.3987 0.0000 173.8257 23 D 4.6367 7.5660 119.2590 54.7328 41.2992 176.9510 24 T 4.5787 8.0711 110.6428 61.6183 68.6152 175.5091 25 V 3.0524 6.7765 116.4411 60.4192 31.5981 172.9777 26 E 4.9337 8.5217 127.8432 54.3578 32.1493 174.3601 27 V 4.2701 9.3042 128.6859 61.3557 33.1696 174.9895 28 K 4.6995 8.6273 128.0248 55.9482 33.3766 176.7368 29 V 4.6737 8.6631 123.2378 60.8792 34.9613 174.5165 30 W 4.7396 8.5271 128.2478 57.5675 29.9134 176.3407 31 V 4.3892 8.4811 121.3890 60.6592 34.0068 173.3964 32 V 3.7295 8.7256 125.8242 62.7204 31.5100 174.4966 33 E 3.8642 8.4017 129.2719 58.6770 29.3326 176.8693 34 G 4.3968 8.4839 104.6618 46.4571 0.0000 173.9405 35 S 4.6163 8.1167 113.3369 57.7840 65.2731 173.2751 36 K 4.8088 7.7001 119.0204 54.7398 35.3930 175.6272 37 K 5.0889 8.2239 115.0737 56.2653 32.8286 174.1792 38 R 4.7616 7.7267 120.6682 55.5756 33.2515 176.2221 39 L 4.6605 8.0512 118.2709 53.7363 43.0015 176.3070 40 Q 4.7453 8.9647 123.5432 54.2568 32.2102 173.8296 41 A 5.2389 8.5153 126.0746 50.4247 21.4485 176.0887 42 F 4.7543 9.2165 123.1331 56.5861 43.0678 173.1196 43 E 5.0693 8.4831 126.4522 55.0215 31.8083 174.1247 44 G 3.9999 8.7312 114.7308 46.4486 0.0000 171.4076 45 V 4.6358 8.5366 122.4593 61.0850 34.2613 176.6310 46 V 4.4288 8.3780 127.7582 62.9855 32.0294 175.8409 47 I 4.5009 8.5598 121.2773 60.4150 39.0775 174.9208 48 A 4.7132 7.4136 121.8878 51.3906 22.3881 175.3260 49 I 4.8213 8.2215 122.1926 60.7404 40.0546 174.0987 50 R 3.3361 9.0407 116.3245 58.1777 30.1596 176.7234 51 N 4.2645 10.9700 109.9459 52.9298 35.6483 174.7022 52 R 4.7382 9.6826 123.5241 57.3816 34.1012 176.8055 53 G 3.9048 7.6675 115.8504 46.1009 0.0000 175.9537 54 L 3.9522 8.6737 128.0248 57.0943 41.8538 176.4672 55 H 4.8530 8.4658 114.1997 55.6795 29.3298 175.3049 56 S 4.4493 7.8979 116.9206 59.4205 64.2587 173.5025 57 A 4.7822 8.6222 119.7568 52.0322 22.2464 175.6454 58 F 5.4277 8.2069 117.7152 55.6409 41.7054 174.4911 59 T 4.8539 8.9976 115.8307 61.7556 71.6700 173.3425 60 V 5.0267 9.0851 126.4596 61.2282 34.1162 174.8552 61 R 4.8157 9.0750 127.5486 55.9859 31.0216 177.1368 62 K 4.0456 8.5847 120.3800 55.1572 34.6421 176.5204 63 I 3.1833 7.7053 115.6938 62.4190 34.0083 172.9928 64 S 4.2695 8.3111 116.1646 57.3896 63.8357 174.6197 65 N 3.8991 7.7305 121.2093 56.1178 37.0390 173.5402 66 G 4.0608 9.2802 112.7711 43.9066 0.0000 174.0083 67 E 4.7518 8.8236 125.7300 54.1228 33.2428 173.8311 68 G 4.0712 8.6800 106.4967 46.7455 0.0000 173.7322 69 V 4.6158 8.0545 118.2839 60.6232 34.4873 172.8540 70 E 5.1061 8.8777 124.4459 55.1090 31.4405 175.3717 71 R 4.2774 8.9524 122.5977 54.5141 33.9277 174.5422 72 V 4.6509 7.6226 117.7177 58.4563 32.9650 175.1914 73 F 4.2131 7.8406 124.1808 56.9792 40.9400 175.2711 74 Q 4.5460 8.5035 121.1309 54.4016 28.8358 176.1718 75 T 4.0713 8.3892 115.8108 65.0315 68.7036 175.0286 76 H 4.6957 8.0981 115.9793 55.5956 29.1374 174.7343 77 S 4.4164 8.5362 117.1543 57.0300 61.4297 173.0118 78 P 4.3366 0.0000 0.0000 66.0776 31.4578 178.4330 79 V 3.6588 7.9270 110.1006 63.2253 31.7933 178.3695 80 V 3.5293 8.3669 120.3142 65.1009 31.3111 174.8201 81 D 4.8857 7.4680 119.3873 54.2096 41.4249 172.8565 82 S 4.7585 7.2775 111.3704 56.4963 66.3706 172.2577 83 I 4.7083 8.2807 126.5125 59.9744 40.6166 173.5184 84 S 4.8430 8.6162 123.8133 56.8439 66.5183 175.2974 85 V 3.5865 8.4558 118.0699 63.9261 31.4268 176.7705 86 K 4.2605 7.9484 124.5378 54.5637 30.6650 175.7543 87 R 4.5864 7.3039 116.5994 54.7255 34.5188 173.8877 88 R 4.6030 8.6204 126.0650 54.6058 31.1779 175.1574 89 G 4.5947 8.3775 112.9401 45.0501 0.0000 170.7133 90 A 4.9608 8.4109 122.2832 50.2293 20.5565 176.7030 91 V 4.3625 8.6329 112.1009 60.4880 37.0725 175.4410 92 R 3.5474 7.9292 111.9805 54.7430 27.5867 174.4962 93 K 4.3164 7.2749 120.2226 56.7054 35.4838 173.8665 94 A 4.0690 9.0669 130.1054 54.7810 18.6020 177.2075 95 K 4.3752 7.7127 114.0637 54.7772 33.8309 176.5413 96 L 4.5986 8.0254 126.0851 55.2775 42.3368 178.9936 97 Y 4.3363 7.8430 118.9491 61.2053 38.1084 176.9492 98 Y 4.3937 8.5357 118.4161 60.4895 37.3401 178.6114 99 L 3.8265 6.8197 119.4613 57.6600 41.6840 179.2962 100 R 4.0747 8.4200 117.3216 57.9029 30.5575 176.8808 101 E 4.7960 7.8899 118.5717 55.7778 29.8198 176.6985 102 R 4.2553 7.6875 115.6556 56.7190 34.5441 175.2951 103 T 3.0268 8.9985 108.4781 63.0165 65.0999 171.5277 104 G 3.7833 8.7655 118.7471 44.7768 0.0000 172.3503 105 K 3.8208 8.3204 115.6248 57.5369 31.5058 176.7483 106 A 4.1411 8.3828 128.8656 54.5778 19.3048 178.9749 107 A 4.2439 7.9039 118.4880 54.0203 19.1740 178.4721 108 R 4.1716 7.4879 113.8419 56.7492 30.7168 175.8656 109 I 4.7838 7.7667 111.7681 58.8747 41.0349 174.9492 110 K 4.1731 8.7742 123.4657 57.2559 33.3378 175.0740 111 E 5.0858 8.4879 119.6714 55.0517 31.5107 177.1146 112 R 4.0432 9.1352 121.0339 56.6962 31.0282 177.1845 113 L 3.6409 7.8469 115.0672 56.3926 38.8844 174.1185 114 N 4.5414 7.5977 120.8244 53.8033 37.3838 175.1751 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 S 8.33 4.49 0.00 3.88 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 2 N 7.93 4.58 0.00 2.69 2.75 0.00 0.00 7.08 7.06 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 3 I 8.59 3.98 1.87 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 1.22 0.91 0.00 0.00 4 I 7.50 3.88 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 1.31 0.80 0.92 0.00 0.00 5 K 7.91 4.02 0.00 1.99 1.70 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 6 Q 7.71 3.43 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 7 L 7.40 4.39 0.00 1.93 1.66 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.99 4.29 0.00 2.00 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 2.33 2.45 0.00 9 Q 8.93 3.74 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 10 E 7.48 4.20 0.00 2.30 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 0.00 2.37 2.33 0.00 11 Q 8.80 4.54 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 12 M 7.25 3.97 0.00 2.00 1.91 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 2.49 2.12 0.00 13 K 8.66 4.29 0.00 1.86 1.80 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.62 7.81 14 Q 7.91 4.64 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 15 D 7.79 4.35 0.00 2.75 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 16 V 8.13 3.50 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 0.73 0.00 0.00 0.88 0.00 0.00 17 P 0.00 4.44 0.00 2.21 2.10 0.00 3.79 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 2.15 2.31 0.00 18 S 8.24 4.32 0.00 3.77 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 19 F 7.90 4.41 0.00 2.94 2.59 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 20 R 8.65 4.24 0.00 2.05 2.00 0.00 3.20 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 21 P 0.00 4.50 0.00 2.22 2.12 0.00 3.81 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 2.01 1.98 0.00 22 G 9.23 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 23 D 7.57 4.64 0.00 2.85 2.63 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 24 T 8.07 4.58 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 1.27 0.00 0.00 25 V 6.78 3.05 1.62 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 0.44 0.00 0.00 0.59 0.00 0.00 26 E 8.52 4.93 0.00 2.15 1.78 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 2.16 2.21 0.00 27 V 9.30 4.27 1.57 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 0.49 0.00 0.00 0.64 0.00 0.00 28 K 8.63 4.70 0.00 1.69 1.50 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.30 7.81 29 V 8.66 4.67 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 1.19 0.00 0.00 1.06 0.00 0.00 30 W 8.53 4.74 0.00 3.31 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 31 V 8.48 4.39 2.16 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 0.66 0.00 0.00 0.99 0.00 0.00 32 V 8.73 3.73 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 0.85 0.00 0.00 0.96 0.00 0.00 33 E 8.40 3.86 0.00 2.01 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 2.36 2.42 0.00 34 G 8.48 4.40 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 0.00 35 S 8.12 4.62 0.00 3.85 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 36 K 7.70 4.81 0.00 1.86 1.77 0.00 1.58 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 37 K 8.22 5.09 0.00 1.91 1.83 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.36 7.81 38 R 7.73 4.76 0.00 1.92 2.20 0.00 2.97 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 39 L 8.05 4.66 0.00 1.19 1.27 -0.21 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.96 4.75 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 A 8.52 5.24 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 42 F 9.22 4.75 0.00 3.17 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 43 E 8.48 5.07 0.00 1.96 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 2.16 2.55 0.00 44 G 8.73 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 0.00 0.00 0.00 45 V 8.54 4.64 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 1.09 0.00 0.00 0.92 0.00 0.00 46 V 8.38 4.43 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 0.99 0.00 0.00 0.77 0.00 0.00 47 I 8.56 4.50 1.80 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.81 0.94 0.00 0.00 48 A 7.41 4.71 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 49 I 8.22 4.82 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.88 1.00 0.00 0.00 50 R 9.04 3.34 0.00 1.86 1.83 0.00 3.24 0.00 0.00 3.31 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 51 N 10.97 4.26 0.00 2.96 3.04 0.00 0.00 6.61 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 52 R 9.68 4.74 0.00 1.83 1.88 0.00 3.45 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 53 G 7.67 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 54 L 8.67 3.95 0.00 1.47 1.50 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.47 4.85 0.00 3.28 3.31 0.00 5.73 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 56 S 7.90 4.45 0.00 3.92 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 57 A 8.62 4.78 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 58 F 8.21 5.43 0.00 3.31 3.40 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 59 T 9.00 4.85 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 1.30 0.00 0.00 60 V 9.09 5.03 2.34 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 1.28 0.00 0.00 1.33 0.00 0.00 61 R 9.08 4.82 0.00 1.80 1.85 0.00 3.28 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 62 K 8.58 4.05 0.00 1.44 1.77 0.00 0.64 0.00 0.00 1.31 0.00 0.00 2.58 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.22 1.09 7.81 63 I 7.71 3.18 1.85 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 1.29 0.55 0.94 0.00 0.00 64 S 8.31 4.27 0.00 3.70 3.66 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 0.00 0.00 0.00 0.00 65 N 7.73 3.90 0.00 2.89 2.92 0.00 0.00 6.33 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 66 G 9.28 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 67 E 8.82 4.75 0.00 1.91 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 2.17 2.34 0.00 68 G 8.68 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 0.00 0.00 0.00 69 V 8.05 4.62 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 0.69 0.00 0.00 1.12 0.00 0.00 70 E 8.88 5.11 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 2.32 0.00 71 R 8.95 4.28 0.00 1.07 0.66 0.00 2.37 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 72 V 7.62 4.65 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 1.00 0.00 0.00 0.77 0.00 0.00 73 F 7.84 4.21 0.00 2.08 2.66 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 0.00 0.00 0.00 0.00 74 Q 8.50 4.55 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 75 T 8.39 4.07 4.68 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 1.49 0.00 0.00 76 H 8.10 4.70 0.00 3.22 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.54 4.42 0.00 3.87 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 78 P 0.00 4.34 0.00 2.24 2.13 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 79 V 7.93 3.66 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 1.04 0.00 0.00 80 V 8.37 3.53 2.34 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 0.78 0.00 0.00 0.93 0.00 0.00 81 D 7.47 4.89 0.00 3.27 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 82 S 7.28 4.76 0.00 3.84 3.53 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 83 I 8.28 4.71 1.87 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 1.03 0.00 0.00 84 S 8.62 4.84 0.00 3.82 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 85 V 8.46 3.59 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 0.82 0.00 0.00 0.96 0.00 0.00 86 K 7.95 4.26 0.00 1.89 2.01 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.31 7.81 87 R 7.30 4.59 0.00 1.81 1.68 0.00 3.12 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 88 R 8.62 4.60 0.00 1.90 1.79 0.00 3.35 0.00 0.00 3.34 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 89 G 8.38 4.59 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 90 A 8.41 4.96 1.21 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 0.00 0.00 91 V 8.63 4.36 2.16 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 0.83 0.00 0.00 0.99 0.00 0.00 92 R 7.93 3.55 0.00 1.98 2.02 0.00 3.12 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 93 K 7.27 4.32 0.00 1.71 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.42 7.81 94 A 9.07 4.07 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 95 K 7.71 4.38 0.00 1.43 0.74 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.92 1.06 7.81 96 L 8.03 4.60 0.00 1.61 1.36 1.01 0.61 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 97 Y 7.84 4.34 0.00 3.11 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 98 Y 8.54 4.39 0.00 3.20 3.27 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 0.00 99 L 6.82 3.83 0.00 1.56 1.64 0.14 0.62 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 0.00 100 R 8.42 4.07 0.00 1.84 2.02 0.00 3.18 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 101 E 7.89 4.80 0.00 2.03 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 2.29 2.30 0.00 102 R 7.69 4.26 0.00 1.85 1.91 0.00 3.54 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 103 T 9.00 3.03 4.39 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 1.22 0.00 0.00 104 G 8.77 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 0.00 0.00 0.00 105 K 8.32 3.82 0.00 1.93 1.70 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.36 7.81 106 A 8.38 4.14 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.90 4.24 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 0.00 108 R 7.49 4.17 0.00 1.96 1.90 0.00 3.11 0.00 0.00 3.47 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 109 I 7.77 4.78 1.91 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 1.35 0.66 0.95 0.00 0.00 110 K 8.77 4.17 0.00 1.72 1.82 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.45 7.81 111 E 8.49 5.09 0.00 1.81 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 2.21 2.37 0.00 112 R 9.14 4.04 0.00 1.87 1.98 0.00 3.29 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 113 L 7.85 3.64 0.00 1.82 1.75 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 114 N 7.60 4.54 0.00 2.78 2.75 0.00 0.00 6.20 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