NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0571 7.9014 120.4076 62.6012 32.7911 175.6507 4 G 3.6716 8.3641 107.9253 45.3821 0.0000 174.0555 5 T 3.7506 8.1498 119.7613 66.9445 68.8050 174.4127 6 Y 4.1506 7.6850 117.7322 60.7506 38.0790 177.6097 7 A 4.0840 8.2138 121.3629 55.5880 18.4282 179.4537 8 E 3.9871 8.2451 116.8053 59.2404 29.5393 179.5377 9 L 4.0159 8.3500 119.2831 57.9007 41.7021 179.3958 10 A 4.2420 8.6128 121.3582 55.0796 18.1825 179.8634 11 S 4.0777 8.1268 112.8126 61.6308 63.1029 176.8958 12 V 3.4379 7.6643 122.1763 65.6947 31.2585 178.0963 13 F 4.1730 8.2108 117.1613 60.2309 38.4813 177.5099 14 A 4.0698 8.3590 120.1348 55.1304 18.2358 179.2107 15 A 4.1213 8.0469 118.3865 55.4115 18.8102 179.6614 16 L 4.3432 8.2407 117.2868 57.2261 41.5697 179.1976 17 S 4.4741 8.0481 113.0182 58.8310 63.4735 173.2959 18 D 4.8167 7.3161 122.5014 52.5292 42.3640 176.5661 19 E 4.0313 8.8403 126.9946 59.6662 29.5964 178.9574 20 T 3.8736 7.9797 115.4217 66.7289 68.5232 176.6961 21 R 3.9069 8.4951 120.1733 58.7975 30.0085 178.8701 22 W 4.0872 8.3932 128.4046 60.4200 30.6220 177.6593 23 E 3.9840 8.6687 119.6662 59.2614 29.0295 178.8055 24 I 3.6398 8.1000 120.2317 64.5259 37.2115 178.4740 25 L 3.9088 8.1421 120.0391 57.9096 40.7780 179.7800 26 T 3.6543 7.7889 115.8358 66.5158 68.4475 176.1820 27 E 3.9461 8.2912 120.5788 59.7338 29.3348 179.4812 28 L 4.4664 7.6466 119.8221 57.0202 41.7447 179.3774 29 G 3.9983 8.1995 105.6455 48.2512 0.0000 175.5731 30 R 4.0934 7.5506 116.3049 57.1193 30.1753 176.6183 31 A 4.3520 7.3661 118.7411 50.5887 22.7042 175.0323 32 D 5.0739 8.6291 122.6542 53.5612 40.1192 175.7120 33 Q 4.7902 8.4731 118.8214 54.4039 33.9427 174.2532 34 S 5.0670 8.9082 115.4408 57.1674 64.7108 175.0795 35 A 4.0317 8.9671 122.3402 55.2555 18.0965 180.0465 36 S 4.0772 8.1116 112.3867 61.7771 63.1611 176.8100 37 S 4.1403 8.3488 118.8890 61.3184 62.5829 176.7136 38 L 3.9995 7.9962 121.4562 57.7634 41.1433 179.4710 39 A 4.0418 8.0664 119.8584 55.3188 18.3141 179.5431 40 T 3.9940 7.7656 113.8829 66.6932 68.5719 176.7409 41 R 4.1820 7.7457 118.7188 56.8076 30.9182 176.6582 42 L 4.8335 7.4193 117.9574 52.2456 44.1489 174.1027 43 P 4.9265 0.0000 0.0000 63.5052 31.7096 176.3050 44 V 4.5635 7.3236 110.4947 59.6781 35.4414 176.5459 45 S 4.3915 8.2820 116.5108 58.1728 65.1019 175.2417 46 R 4.0551 8.6602 121.9176 59.7273 29.7112 179.1491 47 Q 3.8629 7.9953 118.4082 59.1446 29.2852 177.7509 48 A 3.9641 7.9838 121.8153 55.1500 18.3539 179.6091 49 I 3.6353 8.3453 118.4073 64.5766 37.1264 178.5385 50 A 3.9251 7.8406 121.5329 54.8869 18.1989 179.6031 51 K 3.8367 8.0719 118.2070 60.0026 32.1975 178.8743 52 H 4.2652 8.2270 116.5001 58.7952 28.6221 177.8050 53 L 3.8357 8.2861 121.3389 57.5737 41.2567 178.9958 54 N 4.2578 8.4781 117.2048 56.6781 38.7499 176.7864 55 A 3.9964 7.8429 121.6182 55.1973 18.5055 179.6426 56 L 3.9496 8.1819 117.6976 57.9891 41.6611 179.8255 57 Q 4.4110 9.0154 119.5557 58.3995 28.4763 178.5301 58 A 4.1270 8.3344 121.3287 54.2038 18.4331 178.3179 59 C 4.5477 7.7152 110.8887 57.8725 30.2256 174.6854 60 G 3.9353 7.9072 109.4870 45.5936 0.0000 174.4245 61 L 4.2983 7.8410 120.2364 56.0399 42.9059 176.8260 62 V 5.1202 7.7233 117.8044 60.9104 35.4650 173.8757 63 E 5.0168 9.0835 123.0139 54.5594 33.0905 174.7071 64 S 4.8624 8.5985 115.6400 57.3025 65.4200 173.7127 65 V 4.3940 8.1645 120.6318 60.1687 34.9667 173.4085 66 K 4.4923 8.6085 126.0272 55.9364 33.1364 176.2437 67 V 4.1925 8.7915 128.3549 61.4683 33.5951 176.5697 68 G 3.8634 8.2065 119.8898 47.0244 0.0000 172.9577 69 R 4.4739 8.8931 119.8515 55.2212 29.6638 175.1932 70 E 4.7191 7.9561 115.6318 54.9142 32.6729 173.9030 71 I 4.6211 8.0876 120.2555 60.1308 39.0966 175.4146 72 R 4.6099 8.8498 125.9205 54.7653 33.5780 174.5621 73 Y 5.0559 8.7947 117.7826 56.2772 41.6372 175.0322 74 R 4.9469 9.0108 122.3517 54.4422 33.9361 173.7935 75 A 4.9213 8.5368 125.8541 50.8702 20.1540 176.6361 76 L 4.3953 8.8191 123.4523 52.9720 42.8282 177.9410 77 G 3.5847 8.8139 112.1452 47.5687 0.0000 174.1419 78 A 3.9850 7.9495 122.5376 55.0414 18.3869 179.1149 79 E 3.8955 7.9157 117.3554 59.1474 29.6220 178.9922 80 L 3.9713 7.7612 118.7968 57.7504 41.6932 179.0024 81 N 4.3195 8.4947 116.9089 56.0910 38.4851 177.4526 82 K 3.9133 8.2014 121.1343 59.7422 32.3156 179.0882 83 T 3.8514 8.0122 115.8318 66.4970 68.3474 176.4820 84 A 4.0368 8.1901 122.8441 55.2593 18.4025 179.6919 85 R 4.1356 8.1429 118.6650 59.2406 30.1253 178.8814 86 T 3.7909 7.9618 115.5518 66.7450 68.4511 176.7242 87 L 3.9688 8.0579 120.7877 57.6197 41.5463 179.3823 88 E 3.9353 8.6327 119.2223 59.1231 29.1939 179.2636 89 R 3.8947 7.8738 118.7192 59.4822 30.2428 178.6454 90 I 3.5134 7.5720 119.5004 64.3182 37.0357 178.7554 91 G 3.3441 7.9979 106.5731 47.5814 0.0000 175.5236 92 A 3.9722 7.9773 123.0003 54.8964 18.3522 179.4091 93 E 3.9168 7.8917 117.9801 59.2524 29.6947 179.0264 94 W 4.4678 8.0525 119.0093 59.9988 28.9902 178.2965 95 D 4.4152 8.5797 119.1649 57.1472 40.2443 178.6358 96 R 3.9055 8.3277 119.5325 59.5571 30.0286 178.8439 97 R 3.9319 8.0988 117.7171 59.1627 30.1221 178.6693 98 L 3.9222 8.2335 120.0893 58.2720 42.1762 178.9110 99 A 4.0069 8.3921 120.6383 54.9364 18.2642 179.4682 100 A 3.9164 8.1797 119.2567 55.4795 18.5039 179.6754 101 I 3.6375 7.9031 118.4289 64.8356 37.1324 178.8756 102 K 4.1005 8.2504 118.9452 59.0800 31.5476 179.3761 103 Q 3.9173 7.7498 119.1227 59.4294 29.1733 178.0490 104 I 3.8695 7.5405 119.1902 64.1882 37.1925 177.9973 105 A 4.2257 8.3251 121.3276 54.1148 18.4786 177.8885 106 E 4.5589 8.2891 113.2699 55.6972 31.8474 175.9196 107 S 4.2571 8.1727 117.7748 58.5297 62.3767 173.4901 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 3 V 7.90 4.06 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 0.93 0.00 0.00 0.94 0.00 0.00 4 G 8.36 3.67 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 0.00 0.00 0.00 5 T 8.15 3.75 3.85 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 0.71 0.00 0.00 6 Y 7.69 4.15 0.00 3.09 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 7 A 8.21 4.08 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 8 E 8.25 3.99 0.00 2.18 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 2.32 2.55 0.00 9 L 8.35 4.02 0.00 1.99 2.02 0.96 0.86 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 10 A 8.61 4.24 1.49 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 0.00 0.00 11 S 8.13 4.08 0.00 4.11 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 12 V 7.66 3.44 1.74 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 0.54 0.00 0.00 0.86 0.00 0.00 13 F 8.21 4.17 0.00 3.25 3.18 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 0.00 14 A 8.36 4.07 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 0.00 0.00 0.00 0.00 0.00 15 A 8.05 4.12 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 16 L 8.24 4.34 0.00 1.88 2.01 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.05 4.47 0.00 4.10 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 0.00 18 D 7.32 4.82 0.00 2.79 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 19 E 8.84 4.03 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 2.36 2.34 0.00 20 T 7.98 3.87 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 1.13 0.00 0.00 21 R 8.50 3.91 0.00 1.98 1.99 0.00 3.16 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 22 W 8.39 4.09 0.00 3.45 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 23 E 8.67 3.98 0.00 2.26 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 2.32 2.40 0.00 24 I 8.10 3.64 1.96 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 1.48 0.62 0.84 0.00 0.00 25 L 8.14 3.91 0.00 1.44 1.40 0.77 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.79 3.65 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 1.18 0.00 0.00 27 E 8.29 3.95 0.00 2.21 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 2.32 2.50 0.00 28 L 7.65 4.47 0.00 1.53 1.72 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.20 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 30 R 7.55 4.09 0.00 2.00 2.05 0.00 3.09 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 31 A 7.37 4.35 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 32 D 8.63 5.07 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 33 Q 8.47 4.79 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.65 0.00 34 S 8.91 5.07 0.00 3.95 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 35 A 8.97 4.03 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 36 S 8.11 4.08 0.00 4.07 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 37 S 8.35 4.14 0.00 4.05 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 38 L 8.00 4.00 0.00 1.85 1.69 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.07 4.04 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 40 T 7.77 3.99 4.41 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 1.22 0.00 0.00 41 R 7.75 4.18 0.00 1.94 1.98 0.00 3.23 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 42 L 7.42 4.83 0.00 1.76 1.55 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.93 0.00 2.18 2.14 0.00 3.71 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 1.98 1.99 0.00 44 V 7.32 4.56 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 0.78 0.00 0.00 0.95 0.00 0.00 45 S 8.28 4.39 0.00 4.04 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 46 R 8.66 4.06 0.00 1.87 2.05 0.00 3.13 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 47 Q 8.00 3.86 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 48 A 7.98 3.96 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 49 I 8.35 3.64 1.99 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 1.65 0.84 0.81 0.00 0.00 50 A 7.84 3.93 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 51 K 8.07 3.84 0.00 1.79 1.81 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.43 7.81 52 H 8.23 4.27 0.00 3.35 3.28 0.00 5.68 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 53 L 8.29 3.84 0.00 1.57 1.26 0.04 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.48 4.26 0.00 2.83 2.93 0.00 0.00 7.08 8.45 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 55 A 7.84 4.00 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 56 L 8.18 3.95 0.00 1.78 1.70 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 9.02 4.41 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 58 A 8.33 4.13 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 59 C 7.72 4.55 0.00 3.06 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 60 G 7.91 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 61 L 7.84 4.30 0.00 1.74 1.66 0.86 0.63 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 62 V 7.72 5.12 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 1.21 0.00 0.00 0.95 0.00 0.00 63 E 9.08 5.02 0.00 2.03 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 2.16 2.20 0.00 64 S 8.60 4.86 0.00 3.45 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 65 V 8.16 4.39 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 0.62 0.00 0.00 0.87 0.00 0.00 66 K 8.61 4.49 0.00 1.74 1.72 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.64 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.39 7.81 67 V 8.79 4.19 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 0.90 0.00 0.00 0.93 0.00 0.00 68 G 8.21 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.89 4.47 0.00 1.92 2.02 0.00 2.98 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 70 E 7.96 4.72 0.00 2.13 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 2.24 2.22 0.00 71 I 8.09 4.62 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 1.30 1.07 0.46 0.00 0.00 72 R 8.85 4.61 0.00 1.58 1.76 0.00 3.12 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 73 Y 8.79 5.06 0.00 2.87 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 74 R 9.01 4.95 0.00 1.82 1.71 0.00 3.06 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 75 A 8.54 4.92 1.16 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 0.00 0.00 76 L 8.82 4.40 0.00 1.65 1.59 1.01 0.69 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 77 G 8.81 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 0.00 0.00 0.00 78 A 7.95 3.98 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 79 E 7.92 3.90 0.00 2.16 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 0.00 2.16 2.31 0.00 80 L 7.76 3.97 0.00 1.86 1.67 0.84 0.67 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 81 N 8.49 4.32 0.00 2.81 2.85 0.00 0.00 6.66 7.89 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 82 K 8.20 3.91 0.00 1.86 1.95 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.45 7.81 83 T 8.01 3.85 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 1.13 0.00 0.00 84 A 8.19 4.04 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 85 R 8.14 4.14 0.00 1.93 2.05 0.00 3.28 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 86 T 7.96 3.79 4.36 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 1.11 0.00 0.00 87 L 8.06 3.97 0.00 1.98 1.68 1.18 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.63 3.94 0.00 2.10 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 2.31 2.44 0.00 89 R 7.87 3.89 0.00 1.92 2.04 0.00 3.07 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 90 I 7.57 3.51 1.47 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 1.40 0.72 -0.09 0.00 0.00 91 G 8.00 3.34 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 0.00 92 A 7.98 3.97 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 93 E 7.89 3.92 0.00 2.05 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 0.00 2.41 2.58 0.00 94 W 8.05 4.47 0.00 3.42 3.13 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 95 D 8.58 4.42 0.00 2.93 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 96 R 8.33 3.91 0.00 2.01 2.15 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 97 R 8.10 3.93 0.00 2.16 1.99 0.00 3.25 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 98 L 8.23 3.92 0.00 1.88 1.85 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.39 4.01 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 0.00 100 A 8.18 3.92 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 0.00 101 I 7.90 3.64 2.00 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 1.52 0.69 0.91 0.00 0.00 102 K 8.25 4.10 0.00 1.82 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 103 Q 7.75 3.92 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 104 I 7.54 3.87 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 1.46 0.84 0.91 0.00 0.00 105 A 8.33 4.23 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 0.00 106 E 8.29 4.56 0.00 2.12 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 0.00 2.22 2.20 0.00 107 S 8.17 4.26 0.00 3.97 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