NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5615 8.3649 120.3290 53.0417 40.8798 175.7975 2 F 4.3278 8.4483 117.8478 57.7553 39.7231 173.5915 3 G 4.2616 8.5471 109.1947 43.9250 0.0000 170.7656 4 L 4.6725 8.1871 118.1587 53.0575 43.8910 175.5986 5 D 5.2638 8.5189 122.5529 52.8333 42.7294 176.3018 6 C 4.9905 9.0637 119.3630 55.0949 43.1377 172.6995 7 D 4.9591 8.4528 119.8975 50.8012 41.8549 176.5756 8 E 4.1658 8.9437 116.4870 59.3557 29.1798 177.4556 9 H 4.7349 9.1383 115.6115 55.5482 28.9564 175.2437 10 S 4.5112 8.3123 116.9417 58.6330 63.2349 174.1452 11 T 4.5610 8.1136 112.0563 61.2136 69.0552 173.8329 12 E 4.1822 8.2363 123.9640 56.7062 30.1176 176.2155 13 S 4.3374 8.6301 121.6060 60.7749 63.8538 174.6012 14 R 4.6366 8.2104 119.5702 55.1635 31.0416 175.7849 15 C 4.3274 8.2587 120.5410 58.0341 44.1337 172.2569 16 C 5.0859 9.2615 124.9338 55.1121 42.8828 172.1264 17 R 4.9858 8.8042 124.4272 55.2502 31.3118 174.7835 18 Y 5.1903 8.9082 123.5527 54.2977 41.6667 173.3497 19 P 4.8132 0.0000 0.0000 63.0486 32.9944 175.4570 20 L 4.4227 8.2024 120.6003 54.7557 45.5709 173.2259 21 T 4.7509 8.5305 123.0519 61.9821 70.4654 173.9549 22 V 3.9830 7.8987 126.3144 61.0144 33.9603 173.7851 23 D 4.8362 8.2018 126.9853 52.5032 42.7581 176.6605 24 F 4.0932 8.9584 126.7723 60.2995 38.8308 177.6944 25 E 3.9975 8.4089 117.7728 59.5301 29.1887 178.9665 26 A 3.9965 8.0896 119.2417 55.2444 18.4456 179.2388 27 F 4.0437 8.0433 114.5727 58.1744 39.0641 177.0277 28 G 4.0866 8.1077 106.0203 45.6671 0.0000 175.1338 29 W 3.8821 8.1381 122.1543 55.8234 26.7506 176.3142 30 D 4.7629 8.0113 117.0815 53.3110 39.9032 177.9576 31 W 4.7871 7.6049 117.0995 57.8332 29.6243 175.6409 32 I 4.3395 6.8896 122.9054 61.1607 36.8918 175.6832 33 I 4.2805 8.7330 128.1456 63.3057 38.0877 176.1246 34 A 4.8021 7.5668 121.3349 50.1070 22.3791 173.9612 35 P 4.8361 0.0000 0.0000 62.0114 32.6422 176.5996 36 K 4.3708 8.7799 119.5002 59.0647 32.4195 177.3450 37 R 5.2359 7.6504 115.0326 54.9881 34.3641 173.9269 38 Y 4.7537 8.2354 118.0631 56.1518 42.0695 174.1004 39 K 4.4557 8.6680 119.8375 55.6065 31.6533 176.4899 40 A 4.1230 8.4185 128.8511 52.3146 19.9023 178.0058 41 N 4.5390 8.2839 113.8439 53.3279 38.1800 171.9817 42 Y 4.9208 8.3741 115.2975 56.8436 41.7456 172.5941 43 C 5.4506 8.8656 117.3105 55.5730 43.1889 173.5229 44 S 4.7225 9.0981 116.8293 57.1203 65.9810 173.3920 45 G 4.5211 8.7616 114.3983 43.5957 0.0000 173.1483 46 E 4.2901 8.8914 116.9607 55.4811 30.3433 173.7426 47 C 4.9736 8.6213 117.4647 55.5273 42.8158 173.2909 48 E 4.8836 8.5666 123.3556 54.3522 33.5219 178.1553 49 F 3.6433 8.2331 122.6218 60.2418 38.7416 176.3070 50 V 4.0620 6.0795 108.3479 60.3092 31.8170 174.8620 51 F 4.5865 7.4889 119.4879 58.8811 39.1226 175.3069 52 L 3.6734 8.7456 123.7012 55.8313 38.9995 173.4902 53 Q 4.8829 7.6081 118.9371 54.1671 29.7254 176.8288 54 K 4.1535 8.3624 124.9351 56.1111 32.4682 173.0434 55 Y 5.0830 7.3129 116.3325 55.7805 39.6102 175.0177 56 P 4.3231 0.0000 0.0000 66.0008 31.4317 177.9833 57 H 4.0590 8.4713 117.8555 59.5830 29.6210 176.8130 58 T 3.9055 7.8395 117.2789 67.2498 68.3116 176.0476 59 H 4.2579 8.1670 119.2538 58.8870 29.9771 177.0259 60 L 3.9235 7.6955 121.2780 57.7253 41.3736 179.5923 61 V 3.5086 7.7001 118.1000 66.0634 31.2185 177.3508 62 H 3.9867 7.7390 116.3469 59.4823 29.7634 176.6144 63 Q 4.0985 7.9653 118.2380 59.2450 28.6841 178.9447 64 A 3.9966 7.8245 119.9376 52.7395 19.7179 176.9762 65 N 3.9488 7.9268 114.4996 54.0845 37.8760 171.5821 66 P 4.5422 0.0000 0.0000 61.4950 33.2092 176.4176 67 R 3.9717 8.3039 119.4547 58.3173 30.1423 176.9453 68 G 3.9771 8.9639 113.2365 45.1389 0.0000 173.3340 69 S 4.2679 7.6407 114.6491 57.7276 63.6430 173.7081 70 A 4.5721 8.3910 128.0892 49.9562 20.4141 176.5119 71 G 4.0606 8.6104 109.9890 44.8818 0.0000 171.3686 72 P 4.7450 0.0000 0.0000 62.8867 32.1243 175.4496 73 C 4.9658 8.5918 116.1828 56.4007 33.0471 172.0465 74 C 4.8960 8.7245 121.0768 56.8476 43.8814 172.3860 75 T 4.8675 8.9970 120.2586 59.7658 71.3021 170.8884 76 P 4.9230 0.0000 0.0000 63.0863 31.6174 176.4911 77 T 4.5614 8.7973 113.4801 61.3745 70.2058 174.2170 78 K 4.5090 7.6958 123.9127 55.9458 35.5097 174.2000 79 M 5.3346 8.7761 126.2320 53.7553 35.5821 175.0277 80 S 4.9288 9.1282 116.0538 56.2037 67.4833 172.3138 81 P 5.0655 0.0000 0.0000 62.1856 33.0510 174.7364 82 I 4.7290 8.0953 111.8820 58.8987 41.1354 174.4383 83 N 4.8426 8.6818 121.1877 53.6064 39.3506 174.4919 84 M 5.0238 8.7238 121.9350 53.4601 37.0511 173.7526 85 L 5.3315 9.2374 124.2871 53.5213 44.9173 174.8236 86 Y 5.2013 8.2934 123.1084 55.9127 42.1188 173.4113 87 F 5.0832 9.3074 120.2460 56.9461 40.1014 176.3748 88 N 4.9463 8.8729 122.0240 51.6863 39.3642 175.6884 89 G 3.6871 8.5975 105.8566 47.8251 0.0000 174.3095 90 K 4.3293 8.1361 117.5435 55.6693 32.5031 175.9998 91 E 3.9890 8.4588 117.6786 57.5545 27.4667 174.2496 92 Q 4.5860 8.5941 117.6319 54.9970 30.8696 175.3941 93 I 4.0442 8.2362 123.3311 61.1499 37.8460 175.3814 94 I 4.3414 8.4986 128.4136 59.3646 40.2716 173.8837 95 Y 4.8673 8.4528 127.8458 56.2433 40.1223 174.6289 96 G 4.0915 8.1292 111.8511 45.1341 0.0000 171.8702 97 K 4.6715 8.3999 120.3978 55.5176 33.4651 176.4873 98 I 4.3304 8.5209 126.7903 58.9960 38.7362 173.8949 99 P 4.5968 0.0000 0.0000 62.1901 32.3422 175.7388 100 A 3.7512 8.2903 121.3864 53.9633 15.7912 178.1107 101 M 4.5442 8.1019 119.7112 56.6740 34.0660 177.7771 102 V 4.8324 8.0630 119.2754 60.8216 34.8368 174.6881 103 V 4.4628 8.5154 127.9475 61.3427 31.8338 175.5737 104 D 4.7731 9.3650 124.9335 55.5777 42.4683 176.9928 105 R 4.6979 7.7355 117.0109 55.0984 33.6561 174.4692 106 C 5.5070 8.7132 122.3706 55.5752 43.5050 173.0361 107 G 4.1183 8.9587 108.1179 45.8394 0.0000 171.0264 108 C 5.2434 9.1165 118.2223 55.6150 37.4005 174.7798 109 S 4.4153 8.6405 119.6608 58.5544 63.1156 174.2407 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 D 8.36 4.56 0.00 2.60 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 F 8.45 4.33 0.00 3.07 3.14 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 3 G 8.55 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 0.00 0.00 0.00 0.00 4 L 8.19 4.67 0.00 1.52 1.47 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.52 5.26 0.00 2.45 2.45 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 6 C 9.06 4.99 0.00 1.23 2.36 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 7 D 8.45 4.96 0.00 2.87 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 8 E 8.94 4.17 0.00 2.14 2.24 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 2.50 2.41 0.00 9 H 9.14 4.73 0.00 3.25 3.39 0.00 5.85 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 10 S 8.31 4.51 0.00 3.95 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 11 T 8.11 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 1.22 0.00 0.00 12 E 8.24 4.18 0.00 1.90 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 2.22 2.56 0.00 13 S 8.63 4.34 0.00 4.06 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 14 R 8.21 4.64 0.00 1.76 1.88 0.00 3.01 0.00 0.00 2.89 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 15 C 8.26 4.33 0.00 3.06 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 16 C 9.26 5.09 0.00 3.12 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 17 R 8.80 4.99 0.00 1.81 1.93 0.00 3.23 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 18 Y 8.91 5.19 0.00 1.58 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 19 P 0.00 4.81 0.00 2.11 2.05 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 20 L 8.20 4.42 0.00 2.02 1.65 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.53 4.75 4.15 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 1.07 0.00 0.00 22 V 7.90 3.98 1.06 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 -0.34 0.00 0.00 0.52 0.00 0.00 23 D 8.20 4.84 0.00 2.66 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 24 F 8.96 4.09 0.00 3.13 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 25 E 8.41 4.00 0.00 2.21 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 2.46 2.45 0.00 26 A 8.09 4.00 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 27 F 8.04 4.04 0.00 2.81 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 28 G 8.11 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 29 W 8.14 3.88 0.00 3.13 1.80 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 30 D 8.01 4.76 0.00 2.85 2.85 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 31 W 7.60 4.79 0.00 3.80 3.58 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 32 I 6.89 4.34 1.59 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.34 0.63 0.00 0.00 33 I 8.73 4.28 1.86 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.38 0.89 0.00 0.00 34 A 7.57 4.80 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 35 P 0.00 4.84 0.00 2.40 2.15 0.00 3.79 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 2.17 2.08 0.00 36 K 8.78 4.37 0.00 1.88 1.97 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.45 7.81 37 R 7.65 5.24 0.00 1.63 1.70 0.00 3.23 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 38 Y 8.24 4.75 0.00 3.03 3.02 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 39 K 8.67 4.46 0.00 1.68 1.81 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.43 7.81 40 A 8.42 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.28 4.54 0.00 2.91 3.00 0.00 0.00 6.70 7.46 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 42 Y 8.37 4.92 0.00 3.07 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 43 C 8.87 5.45 0.00 2.94 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 44 S 9.10 4.72 0.00 3.96 3.48 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 45 G 8.76 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.89 4.29 0.00 1.87 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 2.24 2.15 0.00 47 C 8.62 4.97 0.00 3.11 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 48 E 8.57 4.88 0.00 2.29 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 0.00 2.37 2.35 0.00 49 F 8.23 3.64 0.00 2.62 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 50 V 6.08 4.06 1.66 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 0.10 0.00 0.00 -0.05 0.00 0.00 51 F 7.49 4.59 0.00 3.18 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 52 L 8.75 3.67 0.00 1.89 1.76 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.61 4.88 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 54 K 8.36 4.15 0.00 1.77 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.34 1.02 7.81 55 Y 7.31 5.08 0.00 3.02 2.78 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 56 P 0.00 4.32 0.00 2.29 2.34 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 57 H 8.47 4.06 0.00 3.22 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.84 3.91 4.44 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 1.25 0.00 0.00 59 H 8.17 4.26 0.00 3.28 3.26 0.00 5.87 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 60 L 7.70 3.92 0.00 1.77 1.66 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.70 3.51 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 1.06 0.00 0.00 0.75 0.00 0.00 62 H 7.74 3.99 0.00 3.29 3.36 0.00 5.83 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 63 Q 7.97 4.10 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 64 A 7.82 4.00 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 65 N 7.93 3.95 0.00 2.82 2.74 0.00 0.00 7.25 8.12 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 66 P 0.00 4.54 0.00 2.26 2.15 0.00 3.74 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 2.06 1.94 0.00 67 R 8.30 3.97 0.00 1.79 1.90 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 68 G 8.96 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.64 4.27 0.00 4.03 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 70 A 8.39 4.57 1.28 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 0.00 0.00 71 G 8.61 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 72 P 0.00 4.74 0.00 2.11 2.09 0.00 3.76 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 2.16 1.97 0.00 73 C 8.59 4.97 0.00 3.06 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 74 C 8.72 4.90 0.00 3.17 3.10 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 75 T 9.00 4.87 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 1.23 0.00 0.00 76 P 0.00 4.92 0.00 2.01 2.01 0.00 3.73 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 2.08 2.14 0.00 77 T 8.80 4.56 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 1.16 0.00 0.00 78 K 7.70 4.51 0.00 1.76 1.62 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.43 7.81 79 M 8.78 5.33 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.26 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 S 9.13 4.93 0.00 3.80 3.72 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 81 P 0.00 5.07 0.00 2.04 2.05 0.00 3.71 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 1.96 1.95 0.00 82 I 8.10 4.73 1.77 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.10 0.81 0.00 0.00 83 N 8.68 4.84 0.00 2.69 2.79 0.00 0.00 6.72 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 84 M 8.72 5.02 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 85 L 9.24 5.33 0.00 1.78 1.50 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.29 5.20 0.00 3.41 2.98 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 0.00 0.00 0.00 87 F 9.31 5.08 0.00 3.15 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 88 N 8.87 4.95 0.00 2.97 3.08 0.00 0.00 6.49 6.63 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 89 G 8.60 3.69 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 0.00 0.00 0.00 90 K 8.14 4.33 0.00 1.89 1.85 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.36 1.43 7.81 91 E 8.46 3.99 0.00 2.11 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 2.22 2.36 0.00 92 Q 8.59 4.59 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.81 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 93 I 8.24 4.04 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.43 0.70 0.00 0.00 94 I 8.50 4.34 0.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.94 0.68 0.00 0.00 95 Y 8.45 4.87 0.00 2.86 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 96 G 8.13 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 97 K 8.40 4.67 0.00 1.61 1.72 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.41 7.81 98 I 8.52 4.33 1.78 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 1.13 1.31 0.86 0.00 0.00 99 P 0.00 4.60 0.00 1.94 1.98 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 100 A 8.29 3.75 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 0.00 101 M 8.10 4.54 0.00 1.75 2.04 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.71 0.00 102 V 8.06 4.83 2.26 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 0.95 0.00 0.00 1.15 0.00 0.00 103 V 8.52 4.46 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 0.86 0.00 0.00 1.03 0.00 0.00 104 D 9.36 4.77 0.00 2.64 2.76 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 0.00 0.00 0.00 105 R 7.74 4.70 0.00 1.84 1.68 0.00 3.08 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 106 C 8.71 5.51 0.00 2.84 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 0.00 107 G 8.96 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 9.12 5.24 0.00 2.97 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 0.00 109 S 8.64 4.42 0.00 3.80 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