NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4184 8.3049 118.1968 54.5112 33.2744 175.4827 2 K 4.3548 7.8965 118.8217 53.9849 33.1779 175.4611 3 T 4.5567 8.1253 118.8260 60.3107 68.9661 171.0714 4 F 5.0298 7.7420 119.6797 54.3252 40.6623 176.2215 5 T 4.1981 8.4400 113.1112 60.2777 70.0045 174.1730 6 A 4.2550 8.4190 125.1082 52.2112 18.8400 177.7296 7 K 4.2006 8.6648 119.8066 55.8570 33.0320 173.2715 8 P 4.6420 0.0000 0.0000 62.6938 33.0028 175.1355 9 E 4.6385 8.6342 113.3816 56.4450 32.5671 174.9214 10 T 4.2013 8.0072 114.0848 64.1860 67.9963 175.3869 11 V 3.8744 7.6728 114.5511 62.4079 31.9299 175.8311 12 K 3.8771 8.4876 121.8773 57.2025 29.5557 175.2099 13 R 3.8594 8.0542 118.3126 56.1174 30.6346 177.3662 14 D 4.7035 8.5846 125.7787 55.1398 41.4735 174.3165 15 W 4.8108 8.2660 133.9698 57.6859 34.4721 174.7638 16 Y 4.3879 6.7347 121.5811 56.7158 42.4613 174.1039 17 V 4.3478 7.6807 113.9748 59.8517 35.9072 173.9313 18 V 4.4311 7.6448 112.1460 60.6152 36.0196 175.9517 19 D 4.7932 8.3073 119.1964 51.0350 38.2218 176.3191 20 A 3.8085 8.0993 128.0733 55.9020 18.8770 178.1089 21 T 3.9740 7.0113 110.2350 62.0255 67.2715 170.3871 22 G 3.7750 9.5238 125.2013 44.7690 0.0000 171.4804 23 K 4.5629 9.0264 119.0287 54.3605 32.2602 175.3249 24 T 3.9150 8.3242 117.1628 64.3006 68.6976 174.5608 25 L 4.1964 8.4572 124.7318 57.5872 41.4212 178.5790 26 G 3.6251 7.9911 109.0567 48.8728 0.0000 175.0794 27 R 4.3384 7.5749 119.5458 54.4480 29.0263 176.8297 28 L 4.5413 7.2569 114.5546 55.0766 46.3280 176.3595 29 A 4.0432 8.2945 121.5255 55.8276 18.4451 178.1152 30 T 4.0453 7.5645 110.2132 63.3510 69.4370 173.9364 31 E 3.5405 8.9520 124.6027 56.3036 28.7982 173.6961 32 L 3.6843 7.9996 120.3536 56.4346 40.0120 176.6339 33 A 4.2686 7.7088 118.6976 53.0926 18.7325 177.7633 34 R 4.4184 7.5113 111.4909 55.7630 29.0618 177.5336 35 R 4.0954 7.5171 117.7374 57.5169 32.1420 177.3270 36 L 4.4044 7.6405 120.6716 54.4492 39.7644 180.2992 37 R 4.6288 8.3744 127.6368 58.7166 28.0174 176.8298 38 G 3.0288 8.5372 118.7215 45.2411 0.0000 173.1936 39 K 3.9105 7.6304 120.4351 58.1521 32.5477 175.3476 40 H 4.6591 7.3364 116.5850 56.3328 28.2566 174.6610 41 K 4.6979 7.7390 115.7191 54.8974 35.9907 175.7530 42 A 4.5031 8.3744 121.4894 52.6659 17.8903 177.5369 43 E 4.7830 7.9641 115.3789 57.2945 31.2820 175.3075 44 Y 4.9361 7.9798 118.9489 56.6251 41.5412 173.5157 45 T 4.5833 6.7444 110.1442 61.1927 75.3678 172.0611 46 P 4.4032 0.0000 0.0000 60.6931 33.0807 172.5441 47 H 4.8037 8.4824 120.3037 56.3598 35.9528 173.4184 48 V 4.3298 7.3385 111.2703 58.8847 33.8516 174.9380 49 D 4.6608 8.3204 121.0124 55.5126 41.5268 176.2371 50 T 4.5449 8.7807 107.6854 63.7547 74.1321 174.1667 51 G 3.6389 6.9400 110.8634 42.3083 0.0000 173.1584 52 D 4.3634 8.0610 126.1938 51.7587 41.5318 174.1434 53 Y 4.3226 7.4959 123.1726 57.5438 38.8303 176.1202 54 I 4.9502 8.3257 116.5162 58.4309 39.8270 174.0948 55 I 4.7352 7.5311 121.4413 59.3555 41.2756 174.5969 56 V 4.1411 7.4897 124.7239 62.2414 32.9324 173.6606 57 L 4.3592 9.0356 130.9234 55.8996 42.8625 177.4707 58 N 5.1932 9.5245 112.3714 51.1121 39.9490 175.4861 59 A 4.7402 8.6120 123.2834 51.9360 19.4159 176.4981 60 D 4.5679 7.9510 118.3907 55.9525 40.3903 178.9321 61 K 3.9380 7.9357 119.4710 58.1918 32.3846 175.1977 62 V 3.5215 6.8658 115.0753 63.0448 30.6974 174.8088 63 A 4.4700 8.1481 128.8850 51.1375 20.1063 177.8593 64 V 4.3002 7.8008 114.2157 60.1360 34.1330 176.2418 65 T 4.0825 8.3502 110.3662 62.6783 69.1996 173.6639 66 G 4.1275 8.3044 110.2189 45.6048 0.0000 174.0861 67 N 4.9692 8.0063 115.3645 54.2868 45.0053 175.7196 68 K 4.4515 7.6517 117.6336 55.8585 34.3083 175.3124 69 R 4.7830 8.8753 120.5513 57.1677 30.1556 177.8849 70 T 4.3653 8.9512 118.0622 64.6045 68.8013 175.5400 71 D 4.5099 8.6716 123.3613 55.0212 40.3085 176.5150 72 K 4.4905 7.9076 120.0147 54.2480 33.4874 175.3584 73 V 4.3408 8.2005 124.7310 60.8994 34.5826 173.7368 74 Y 4.7578 7.4022 123.1268 55.2881 39.8658 174.7106 75 Y 4.5682 8.6990 125.1404 56.4940 38.4976 173.4436 76 H 4.8092 8.9645 122.7755 53.4544 30.6143 174.1051 77 H 4.5300 7.7644 120.3159 56.1233 29.2100 173.0910 78 T 4.5613 7.9701 112.8080 61.4903 70.6871 172.1146 79 G 4.0875 8.6806 109.4704 44.3351 0.0000 174.1039 80 H 4.4231 8.9741 120.4930 55.4076 29.5258 175.1102 81 I 4.2597 8.1533 114.2583 60.1511 39.3869 175.2936 82 G 4.3059 8.7733 106.3321 46.6612 0.0000 174.7431 83 G 3.8170 7.9586 102.6834 45.0817 0.0000 174.9117 84 I 4.1713 8.5399 111.4276 59.5169 39.6332 176.6619 85 K 4.3302 8.8185 124.5644 57.8741 33.0334 176.8473 86 Q 3.2424 7.9169 116.0138 57.0234 26.5276 174.2283 87 A 4.5510 7.6658 120.3327 50.6744 19.3135 176.3470 88 T 4.5677 7.7504 110.6641 60.2120 71.5425 174.8204 89 F 4.6067 8.3521 124.0284 57.4820 40.3561 175.4094 90 E 4.0324 8.3742 127.1302 59.9009 29.5082 179.0885 91 E 4.2347 5.9000 114.2309 56.8224 29.2155 177.6820 92 M 4.5278 7.7554 120.9224 56.9470 33.6017 176.5971 93 I 4.2128 7.6477 116.1199 61.4302 38.0361 176.5999 94 A 4.1458 7.7561 119.5888 54.1315 18.3923 178.8029 95 R 3.9497 7.3923 115.8508 58.0409 30.3837 177.8872 96 R 5.3026 8.2210 118.9597 54.7357 29.1791 177.5979 97 P 4.7139 0.0000 0.0000 62.7694 32.4689 174.3624 98 E 4.5637 8.7465 119.3316 57.4712 33.9985 175.0360 99 R 4.8830 7.6372 118.9156 53.7678 29.1655 174.7776 100 V 4.4409 6.8103 120.9533 62.2827 39.2978 175.1376 101 I 4.3245 7.4523 115.3744 60.2415 38.1830 176.5523 102 E 4.6075 7.8158 119.0045 56.7932 31.7599 175.7732 103 I 3.8900 8.0099 118.8283 63.9941 37.4809 175.9205 104 A 4.3916 7.7171 122.1383 51.8256 20.4272 176.5062 105 V 3.4761 8.3621 114.5248 62.2853 30.4173 174.3463 106 K 4.6334 7.9186 119.5802 57.7630 35.4144 176.9390 107 G 3.6823 8.2069 105.8499 47.0927 0.0000 173.5555 108 M 4.3670 7.7777 119.6267 54.0900 31.3763 175.0457 109 L 4.4914 8.2874 122.5181 55.7548 43.2946 176.8109 110 P 4.4474 0.0000 0.0000 65.4944 32.1871 177.2596 111 K 4.4141 8.0582 115.8315 56.0963 33.6363 176.8713 112 G 3.7032 8.3186 104.8646 47.7187 0.0000 169.7807 113 P 3.6586 0.0000 0.0000 63.3703 28.8856 174.2496 114 L 4.1130 8.4830 126.8015 56.2797 39.5330 176.4877 115 G 4.1387 8.2837 111.4679 46.0625 0.0000 172.1644 116 R 3.7667 8.1062 119.2540 59.1646 29.6060 177.5849 117 A 3.9536 7.8162 119.7222 55.3417 18.9822 176.7015 118 M 4.4462 7.7219 116.9906 56.2089 31.2259 174.5552 119 F 4.7306 8.2843 135.0000 59.3335 41.5199 176.1030 120 R 3.8306 7.7473 114.5773 58.0768 29.4510 177.7635 121 K 4.0872 7.0124 117.9040 59.4257 32.4899 177.3958 122 L 4.9697 7.3156 120.4092 55.6397 41.9039 176.7124 123 K 4.3445 8.0151 120.3848 54.5645 33.0298 174.7970 124 V 3.6214 7.8945 118.6255 60.7954 32.3773 175.0569 125 Y 4.5620 7.6367 119.1621 56.2889 39.9571 172.8202 126 A 4.7862 8.9150 125.3948 50.4760 21.3906 176.7259 127 G 5.0459 7.4044 112.8702 45.7057 0.0000 174.8660 128 N 4.3946 7.7802 128.5267 53.0151 40.9613 176.5300 129 E 3.9594 8.6814 115.1424 59.7725 29.3843 178.1050 130 H 4.5744 8.0312 109.3269 56.3173 28.1279 175.3433 131 N 4.3841 7.9797 119.4567 55.6600 39.1531 176.1710 132 H 4.8952 7.9701 114.3927 55.9971 30.1285 175.4312 133 A 4.0615 7.7439 121.3565 55.8830 18.2293 178.7157 134 A 3.9148 7.6559 116.3133 53.1014 18.9677 173.8562 135 Q 3.4179 8.6992 126.2594 55.6531 26.6707 173.8262 136 Q 4.3702 8.2965 121.5176 53.2580 28.3740 172.7180 137 P 4.9045 0.0000 0.0000 61.1492 35.9291 173.3656 138 Q 3.9714 7.5057 114.9320 54.0618 30.5641 177.1826 139 V 4.3745 7.7735 116.7050 61.1352 34.6627 173.9389 140 L 4.8772 8.9385 123.4435 55.4489 43.5429 176.7996 141 D 5.5192 8.5353 130.5669 55.1646 42.4517 177.1882 142 I 3.8924 8.1051 124.5803 61.0115 37.9057 175.6101 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 M 8.30 4.42 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 2 K 7.90 4.35 0.00 1.89 1.91 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.43 1.53 7.81 3 T 8.13 4.56 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 1.25 0.00 0.00 4 F 7.74 5.03 0.00 3.10 2.99 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 5 T 8.44 4.20 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 1.33 0.00 0.00 6 A 8.42 4.26 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 7 K 8.66 4.20 0.00 1.79 1.79 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.37 7.81 8 P 0.00 4.64 0.00 2.15 1.89 0.00 3.79 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 2.02 1.93 0.00 9 E 8.63 4.64 0.00 1.91 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 2.22 2.37 0.00 10 T 8.01 4.20 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 1.25 0.00 0.00 11 V 7.67 3.87 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 0.79 0.00 0.00 0.96 0.00 0.00 12 K 8.49 3.88 0.00 1.94 1.94 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.37 7.81 13 R 8.05 3.86 0.00 2.12 2.09 0.00 2.63 0.00 0.00 2.99 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 14 D 8.58 4.70 0.00 2.73 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 15 W 8.27 4.81 0.00 3.86 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 16 Y 6.73 4.39 0.00 2.79 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 17 V 7.68 4.35 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 0.59 0.00 0.00 1.11 0.00 0.00 18 V 7.64 4.43 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 0.56 0.00 0.00 0.83 0.00 0.00 19 D 8.31 4.79 0.00 2.79 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 20 A 8.10 3.81 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 21 T 7.01 3.97 4.45 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 1.22 0.00 0.00 22 G 9.52 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 9.03 4.56 0.00 1.94 2.09 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.19 1.17 7.81 24 T 8.32 3.91 4.23 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 1.26 0.00 0.00 25 L 8.46 4.20 0.00 1.73 1.77 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.99 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 0.00 0.00 0.00 27 R 7.57 4.34 0.00 1.80 1.91 0.00 3.35 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 28 L 7.26 4.54 0.00 1.65 1.74 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.29 4.04 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 30 T 7.56 4.05 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 31 E 8.95 3.54 0.00 2.02 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 2.15 2.29 0.00 32 L 8.00 3.68 0.00 1.78 1.65 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.71 4.27 1.27 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 0.00 0.00 34 R 7.51 4.42 0.00 1.82 2.03 0.00 2.93 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.37 0.00 35 R 7.52 4.10 0.00 1.90 1.84 0.00 2.92 0.00 0.00 2.58 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 36 L 7.64 4.40 0.00 1.61 0.95 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.37 4.63 0.00 2.33 2.15 0.00 2.80 0.00 0.00 3.88 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 38 G 8.54 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 0.00 0.00 0.00 39 K 7.63 3.91 0.00 1.83 1.86 0.00 1.11 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.41 7.81 40 H 7.34 4.66 0.00 3.06 3.56 0.00 5.67 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 41 K 7.74 4.70 0.00 1.82 1.77 0.00 1.54 0.00 0.00 1.83 0.00 0.00 3.30 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.48 7.81 42 A 8.37 4.50 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 43 E 7.96 4.78 0.00 1.98 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 2.25 2.26 0.00 44 Y 7.98 4.94 0.00 2.82 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 45 T 6.74 4.58 4.13 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 1.24 0.00 0.00 46 P 0.00 4.40 0.00 1.83 1.01 0.00 3.67 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 47 H 8.48 4.80 0.00 2.96 3.16 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.34 4.33 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 0.71 0.00 0.00 0.90 0.00 0.00 49 D 8.32 4.66 0.00 2.68 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 50 T 8.78 4.54 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 1.42 0.00 0.00 51 G 6.94 3.64 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 0.00 0.00 0.00 52 D 8.06 4.36 0.00 2.77 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 0.00 0.00 0.00 0.00 53 Y 7.50 4.32 0.00 3.18 3.26 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 0.00 54 I 8.33 4.95 1.65 0.00 0.00 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 1.24 1.09 0.87 0.00 0.00 55 I 7.53 4.74 1.85 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 1.45 1.38 0.88 0.00 0.00 56 V 7.49 4.14 1.67 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 0.64 0.00 0.00 0.72 0.00 0.00 57 L 9.04 4.36 0.00 1.83 1.31 1.01 0.56 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 58 N 9.52 5.19 0.00 3.09 3.08 0.00 0.00 5.65 6.96 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 59 A 8.61 4.74 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 60 D 7.95 4.57 0.00 2.83 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 61 K 7.94 3.94 0.00 1.72 1.88 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.49 7.81 62 V 6.87 3.52 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 0.77 0.00 0.00 0.96 0.00 0.00 63 A 8.15 4.47 1.25 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 0.00 0.00 0.00 64 V 7.80 4.30 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 0.77 0.00 0.00 0.96 0.00 0.00 65 T 8.35 4.08 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 1.22 0.00 0.00 66 G 8.30 4.13 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 0.00 67 N 8.01 4.97 0.00 2.68 2.81 0.00 0.00 7.21 7.61 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 68 K 7.65 4.45 0.00 1.79 2.25 0.00 1.68 0.00 0.00 2.05 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.58 7.81 69 R 8.88 4.78 0.00 1.81 1.52 0.00 3.16 0.00 0.00 3.17 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 70 T 8.95 4.37 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 1.00 0.00 0.00 71 D 8.67 4.51 0.00 2.75 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 72 K 7.91 4.49 0.00 1.77 1.83 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.56 7.81 73 V 8.20 4.34 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 0.83 0.00 0.00 0.91 0.00 0.00 74 Y 7.40 4.76 0.00 3.27 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 75 Y 8.70 4.57 0.00 3.02 2.96 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 76 H 8.96 4.81 0.00 3.31 3.20 0.00 6.06 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.76 4.53 0.00 3.21 3.22 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.97 4.56 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 1.22 0.00 0.00 79 G 8.68 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.97 4.42 0.00 3.31 3.31 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.15 4.26 1.91 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 1.37 0.76 0.96 0.00 0.00 82 G 8.77 4.31 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 0.00 83 G 7.96 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 84 I 8.54 4.17 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.31 0.89 0.00 0.00 85 K 8.82 4.33 0.00 1.85 2.20 0.00 1.89 0.00 0.00 0.61 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.62 7.81 86 Q 7.92 3.24 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 87 A 7.67 4.55 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 88 T 7.75 4.57 4.35 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 1.28 0.00 0.00 89 F 8.35 4.61 0.00 2.99 2.99 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 90 E 8.37 4.03 0.00 2.07 1.43 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 2.33 2.25 0.00 91 E 5.90 4.23 0.00 1.56 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 2.34 2.29 0.00 92 M 7.76 4.53 0.00 2.29 2.23 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 2.61 2.76 0.00 93 I 7.65 4.21 2.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.15 0.88 0.00 0.00 94 A 7.76 4.15 1.25 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 0.00 0.00 0.00 95 R 7.39 3.95 0.00 1.87 2.00 0.00 3.28 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 96 R 8.22 5.30 0.00 1.77 1.28 0.00 3.19 0.00 0.00 3.20 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 97 P 0.00 4.71 0.00 2.14 2.08 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 98 E 8.75 4.56 0.00 2.03 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 2.40 0.00 99 R 7.64 4.88 0.00 1.69 1.79 0.00 3.44 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 100 V 6.81 4.44 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 0.77 0.00 0.00 0.86 0.00 0.00 101 I 7.45 4.32 1.80 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 1.23 0.50 0.86 0.00 0.00 102 E 7.82 4.61 0.00 1.75 1.89 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 1.86 2.49 0.00 103 I 8.01 3.89 1.92 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 1.30 0.73 0.93 0.00 0.00 104 A 7.72 4.39 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 0.00 105 V 8.36 3.48 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 0.72 0.00 0.00 0.89 0.00 0.00 106 K 7.92 4.63 0.00 2.11 2.05 0.00 1.77 0.00 0.00 2.02 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.52 7.81 107 G 8.21 3.68 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 0.00 0.00 0.00 108 M 7.78 4.37 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 109 L 8.29 4.49 0.00 1.75 1.70 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.45 0.00 2.18 2.18 0.00 3.81 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 1.99 1.99 0.00 111 K 8.06 4.41 0.00 1.72 1.76 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.35 7.81 112 G 8.32 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 3.66 0.00 2.26 2.21 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 114 L 8.48 4.11 0.00 1.77 1.78 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.28 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.11 3.77 0.00 1.75 1.92 0.00 3.25 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 1.60 1.69 0.00 117 A 7.82 3.95 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 0.00 118 M 7.72 4.45 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 119 F 8.28 4.73 0.00 3.13 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 0.00 120 R 7.75 3.83 0.00 1.94 2.07 0.00 3.33 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 121 K 7.01 4.09 0.00 1.78 1.84 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.19 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.56 7.81 122 L 7.32 4.97 0.00 1.48 1.57 0.86 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.02 4.34 0.00 1.71 1.67 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.79 7.81 124 V 7.89 3.62 1.94 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 0.60 0.00 0.00 0.84 0.00 0.00 125 Y 7.64 4.56 0.00 3.03 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 0.00 126 A 8.91 4.79 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 0.00 127 G 7.40 5.05 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 0.00 0.00 0.00 128 N 7.78 4.39 0.00 2.83 2.29 0.00 0.00 5.96 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 0.00 129 E 8.68 3.96 0.00 2.05 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 0.00 2.43 2.27 0.00 130 H 8.03 4.57 0.00 3.24 3.39 0.00 5.51 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 7.98 4.38 0.00 3.20 2.78 0.00 0.00 6.66 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 7.97 4.90 0.00 3.44 3.35 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.74 4.06 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 0.00 134 A 7.66 3.91 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 0.00 135 Q 8.70 3.42 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 136 Q 8.30 4.37 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.81 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 137 P 0.00 4.90 0.00 1.70 1.80 0.00 3.34 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 1.60 1.89 0.00 138 Q 7.51 3.97 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 139 V 7.77 4.37 1.94 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 0.64 0.00 0.00 0.91 0.00 0.00 140 L 8.94 4.88 0.00 1.95 1.71 0.98 1.22 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 0.00 141 D 8.54 5.52 0.00 2.76 2.70 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 0.00 0.00 0.00 0.00 142 I 8.11 3.89 1.90 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 1.28 0.94 0.97 0.00 0.00