NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6481 8.3044 120.6294 55.5578 33.4084 174.5115 2 I 4.2975 8.9502 127.3423 58.7397 39.7399 173.7349 3 T 4.6090 8.7540 118.0452 61.2749 70.5982 174.8186 4 F 4.4192 9.5231 124.7707 61.4371 39.2409 177.2157 5 A 3.9994 7.6846 117.1231 55.4996 18.2521 179.2278 6 D 4.5291 8.1073 115.2182 57.5102 41.2174 177.8352 7 Y 4.1014 8.6459 120.6631 60.5416 38.8521 177.5511 8 F 4.2250 8.7651 122.0202 61.6500 39.3917 176.5467 9 Y 3.7806 8.0541 118.6923 60.4661 38.4569 177.5550 10 Q 3.8350 8.3564 120.6371 58.9356 29.2595 177.7407 11 W 3.8791 8.4368 130.4297 60.6386 30.6372 177.0812 12 Y 3.1646 7.7072 119.0376 60.5172 37.9863 177.6403 13 E 3.0781 7.5073 119.3192 58.8712 29.6883 178.6005 14 V 3.5653 7.4039 117.5366 64.5310 31.6342 176.2183 15 N 4.5006 7.0365 113.0030 54.6881 40.4222 176.7608 16 K 3.9345 6.7936 118.4255 57.9255 32.4216 178.7203 17 L 3.1632 7.0002 121.5386 57.4433 41.6643 177.1984 18 P 4.2203 0.0000 0.0000 64.8101 31.3050 176.0791 19 H 4.6141 7.7026 114.4172 55.7475 29.8286 174.2018 20 V 4.4698 7.2575 111.9267 59.4188 34.5580 174.2515 21 S 4.8549 8.1855 116.2504 56.3050 67.2920 175.0353 22 E 4.0411 8.5944 119.9255 59.9341 28.3630 179.2125 23 S 4.2273 8.1523 115.7012 61.7756 62.9017 176.4688 24 T 4.3611 7.8490 117.9317 66.0589 68.3760 176.9420 25 K 4.5111 8.5185 122.2940 59.0589 32.2048 179.5057 26 R 4.0583 8.0988 115.8733 59.4249 29.1952 178.7160 27 H 4.2356 7.7621 113.7924 59.1090 28.7343 177.3012 28 Y 4.0265 8.0545 118.3702 61.2438 37.5148 178.6459 29 E 4.3474 9.1746 119.9104 59.6026 29.5727 179.6331 30 S 4.2834 8.5582 115.2011 61.4306 62.8218 176.5388 31 A 4.0988 8.3310 123.5969 55.4588 18.1236 178.9000 32 Y 4.1248 9.0016 118.5802 60.9426 38.8141 178.6322 33 K 3.6599 8.4583 119.5648 59.8392 32.1478 179.0956 34 H 4.3810 8.3677 115.9923 58.6398 28.5428 178.0455 35 I 3.7429 8.2468 122.4743 64.3314 36.7756 178.6909 36 K 3.7540 8.2154 118.5211 59.6055 32.3141 178.3752 37 D 4.3487 7.7916 118.8685 57.4794 41.2344 177.5283 38 H 4.3629 7.7323 114.3764 57.2427 29.8942 176.6746 39 F 4.8293 8.3838 122.9606 56.3660 37.1167 176.3136 40 R 4.0783 7.7343 122.3146 57.9113 30.9518 177.2674 41 H 4.9027 7.8718 113.0068 55.4439 29.3479 174.8670 42 K 4.3069 8.0952 122.5409 55.5185 32.3309 176.4706 43 L 4.5035 8.4009 126.6930 54.3168 42.3549 177.9904 44 L 3.7887 8.1272 123.7897 57.7603 41.9896 178.1123 45 K 4.2202 7.6578 114.6655 56.6528 32.7129 176.1245 46 D 4.6964 7.6080 117.4144 53.9868 41.9642 176.0634 47 I 3.6918 7.4856 119.5973 62.1116 37.4705 176.2083 48 K 4.3714 9.2472 126.2245 55.2883 34.6296 178.3315 49 R 4.1952 8.3601 119.1003 59.1799 29.4668 179.3211 50 T 3.9646 7.8681 110.9886 64.8375 68.9188 176.3154 51 E 4.1425 8.2393 120.3130 58.9059 29.9973 178.1361 52 Y 4.3185 8.2380 120.7586 60.6473 38.8321 177.8251 53 Q 3.9769 8.4076 120.5113 59.2743 29.2740 178.5172 54 K 4.0375 7.9496 119.1867 59.1764 32.0292 179.1364 55 F 4.0032 8.4365 121.3612 61.3034 39.2972 177.2693 56 L 3.7151 7.7589 118.2724 57.6204 41.1480 179.1216 57 N 4.3072 7.9552 115.6147 56.3924 38.9171 176.7657 58 E 4.0415 7.9772 120.1720 59.3187 29.7489 178.2047 59 Y 3.8830 7.8998 119.8624 60.2313 38.8634 177.4158 60 G 3.8811 8.4608 106.8277 45.4853 0.0000 174.8473 61 L 4.2953 7.5108 120.2221 55.7849 42.1297 177.2276 62 T 4.3227 7.3753 106.7791 61.5790 70.3037 173.6858 63 H 4.7335 7.3613 117.1795 53.0784 32.9351 173.2983 64 S 4.5444 8.2317 117.3400 57.7533 65.1264 174.9682 65 Y 4.0773 8.4594 122.3924 61.1611 38.5047 177.4440 66 E 3.8831 8.3055 119.6624 59.4693 29.7654 178.8723 67 T 3.9292 7.7633 115.4131 66.6344 68.7151 176.5488 68 I 3.7928 7.8832 120.5972 63.6803 38.0636 177.9165 69 R 3.5819 8.0623 120.3260 59.1375 29.9003 178.7073 70 K 3.8691 7.5696 119.9139 58.9479 32.3996 178.6558 71 L 3.7049 7.3649 121.3587 57.9264 41.9212 178.3961 72 N 4.3595 7.9880 116.9730 56.9311 38.9799 176.9466 73 S 4.3086 7.7722 115.2190 61.4712 62.8927 176.1718 74 Y 4.6929 7.6734 120.3691 61.3028 37.7265 178.3456 75 I 4.0527 8.2966 120.8503 64.4627 37.1939 178.3785 76 R 3.9522 8.7762 119.8533 59.8021 29.9399 178.3991 77 N 4.4631 8.5482 115.8615 55.9440 38.5508 177.3546 78 A 2.5800 7.7735 122.7760 54.7960 18.4186 179.7683 79 F 3.9243 8.3263 116.3150 60.4126 38.9705 177.5573 80 D 4.4462 8.4371 118.1733 57.2252 41.0039 177.9057 81 D 4.3994 8.7694 118.6800 57.4899 41.4257 178.0874 82 A 4.2176 8.1677 121.3375 55.2670 18.3122 179.4523 83 I 4.1479 8.4191 118.9222 63.7642 37.8062 177.6167 84 H 4.2072 8.0656 118.6475 58.9152 29.8262 176.3463 85 E 4.4110 8.2171 118.0199 56.2000 29.6829 176.8969 86 G 3.8688 7.8307 106.7389 46.6310 0.0000 173.9986 87 Y 4.6225 8.7030 121.4816 58.4270 39.5295 176.1915 88 V 4.0325 7.1860 118.1925 60.0255 33.4935 175.9257 89 I 4.2489 7.9307 118.2307 60.5500 39.9461 175.2139 90 K 4.1795 7.9190 119.3241 54.6711 32.6637 175.4557 91 N 3.9195 8.2111 122.8295 50.7712 38.5656 173.1866 92 P 4.4046 0.0000 0.0000 62.9853 31.3003 177.5763 93 T 4.0225 6.8262 107.6523 62.7989 68.8666 174.8254 94 Y 4.1174 7.5788 123.4873 60.3537 38.9346 177.2182 95 K 4.5566 7.9095 117.6548 56.0500 33.2569 177.1764 96 A 4.4661 7.8299 120.0694 51.4528 17.0921 178.6070 97 E 4.1735 7.7709 120.4308 55.5552 30.4738 179.0556 98 L 4.3602 8.2953 128.4430 54.0626 39.9636 178.5362 99 H 4.5185 7.6768 117.6099 54.1427 28.0920 173.7223 100 A 4.3753 8.0810 125.2332 51.9347 16.7553 178.5508 101 S 4.3175 8.4629 117.3385 60.7706 63.3284 176.4660 102 V 3.7771 7.8480 119.8854 65.2262 31.3408 175.9474 103 L 4.7719 7.7945 118.9601 54.0512 42.5674 176.6869 104 E 3.9859 8.2638 120.5970 56.8909 28.2250 174.4218 105 H 4.5538 8.4409 125.2578 55.2834 30.5708 173.8537 106 H 4.8380 8.3010 124.6852 54.7588 32.0548 172.5107 107 H 4.7926 8.6334 115.9836 55.1396 28.3661 173.4616 108 H 4.7010 8.3369 129.6441 55.0987 28.2863 173.5739 109 H 4.9360 7.7154 117.4471 54.0517 32.8567 173.6192 110 H 4.4061 8.3911 117.1178 56.1668 27.9537 173.3006 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 4.65 0.00 2.13 2.16 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 2.72 2.65 0.00 2 I 8.95 4.30 2.01 0.00 0.00 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 1.53 1.53 1.25 0.00 0.00 3 T 8.75 4.61 4.53 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 1.40 0.00 0.00 4 F 9.52 4.42 0.00 2.88 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 5 A 7.68 4.00 1.53 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 0.00 0.00 6 D 8.11 4.53 0.00 3.01 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 7 Y 8.65 4.10 0.00 3.36 3.31 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 8 F 8.77 4.22 0.00 2.99 3.31 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 9 Y 8.05 3.78 0.00 2.35 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 10 Q 8.36 3.83 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 11 W 8.44 3.88 0.00 2.45 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 12 Y 7.71 3.16 0.00 2.56 2.62 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 0.00 0.00 0.00 0.00 13 E 7.51 3.08 0.00 1.40 1.60 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 2.01 1.93 0.00 14 V 7.40 3.57 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 0.84 0.00 0.00 0.84 0.00 0.00 15 N 7.04 4.50 0.00 2.03 2.35 0.00 0.00 6.41 7.64 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 16 K 6.79 3.93 0.00 1.27 1.54 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.61 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.38 0.80 7.81 17 L 7.00 3.16 0.00 0.89 1.23 0.28 0.59 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 18 P 0.00 4.22 0.00 1.94 1.93 0.00 3.35 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 19 H 7.70 4.61 0.00 3.19 3.31 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.26 4.47 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 0.77 0.00 0.00 0.89 0.00 0.00 21 S 8.19 4.85 0.00 3.87 3.76 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 22 E 8.59 4.04 0.00 2.23 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 2.38 2.44 0.00 23 S 8.15 4.23 0.00 3.96 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 24 T 7.85 4.36 4.46 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 0.00 0.00 0.00 1.49 0.00 0.00 25 K 8.52 4.51 0.00 2.09 2.22 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.55 7.81 26 R 8.10 4.06 0.00 2.14 2.27 0.00 2.80 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 27 H 7.76 4.24 0.00 3.58 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.05 4.03 0.00 2.49 2.39 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 29 E 9.17 4.35 0.00 2.23 2.30 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 2.71 2.73 0.00 30 S 8.56 4.28 0.00 4.17 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 31 A 8.33 4.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.00 4.12 0.00 3.56 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.46 3.66 0.00 2.14 1.83 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.87 7.81 34 H 8.37 4.38 0.00 3.61 3.71 0.00 5.62 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 35 I 8.25 3.74 1.83 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.03 0.46 0.00 0.00 36 K 8.22 3.75 0.00 1.69 1.51 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.20 7.81 37 D 7.79 4.35 0.00 2.70 2.87 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 0.00 0.00 0.00 38 H 7.73 4.36 0.00 2.34 2.59 0.00 5.88 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 39 F 8.38 4.83 0.00 3.27 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 40 R 7.73 4.08 0.00 1.75 1.81 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.67 0.00 41 H 7.87 4.90 0.00 3.19 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.10 4.31 0.00 2.09 2.05 0.00 1.72 0.00 0.00 2.01 0.00 0.00 3.44 0.00 0.00 2.97 0.00 0.00 0.00 0.00 2.02 1.66 7.81 43 L 8.40 4.50 0.00 1.75 1.57 0.94 0.63 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 44 L 8.13 3.79 0.00 1.42 1.38 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.66 4.22 0.00 1.69 1.51 0.00 1.40 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.09 1.24 7.81 46 D 7.61 4.70 0.00 2.61 2.77 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 47 I 7.49 3.69 1.47 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.24 0.50 0.00 0.00 48 K 9.25 4.37 0.00 2.04 1.72 0.00 1.51 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 49 R 8.36 4.20 0.00 2.19 2.13 0.00 3.07 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 50 T 7.87 3.96 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 1.24 0.00 0.00 51 E 8.24 4.14 0.00 2.36 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 2.65 2.72 0.00 52 Y 8.24 4.32 0.00 3.15 3.22 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 0.00 53 Q 8.41 3.98 0.00 2.46 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 54 K 7.95 4.04 0.00 1.98 1.87 0.00 1.76 0.00 0.00 1.60 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.81 1.63 7.81 55 F 8.44 4.00 0.00 3.07 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 56 L 7.76 3.72 0.00 1.82 1.59 0.76 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.96 4.31 0.00 2.83 2.86 0.00 0.00 7.01 7.47 0.00 0.00 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 E 7.98 4.04 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 2.32 2.32 0.00 59 Y 7.90 3.88 0.00 2.56 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 60 G 8.46 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 0.00 0.00 0.00 61 L 7.51 4.30 0.00 1.80 1.68 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.38 4.32 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 1.15 0.00 0.00 63 H 7.36 4.73 0.00 2.56 3.01 0.00 5.89 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.23 4.54 0.00 3.91 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 65 Y 8.46 4.08 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 66 E 8.31 3.88 0.00 2.14 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 2.35 2.41 0.00 67 T 7.76 3.93 4.43 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 1.38 0.00 0.00 68 I 7.88 3.79 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.30 0.92 0.00 0.00 69 R 8.06 3.58 0.00 0.80 1.40 0.00 3.04 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 70 K 7.57 3.87 0.00 1.49 1.81 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.10 7.81 71 L 7.36 3.70 0.00 1.56 1.57 0.84 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.99 4.36 0.00 2.83 2.92 0.00 0.00 7.04 7.29 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 73 S 7.77 4.31 0.00 4.16 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 74 Y 7.67 4.69 0.00 3.48 3.44 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 0.00 75 I 8.30 4.05 2.33 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.06 1.41 0.00 0.00 76 R 8.78 3.95 0.00 1.95 2.20 0.00 3.11 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 77 N 8.55 4.46 0.00 3.44 3.35 0.00 0.00 7.19 7.08 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 78 A 7.77 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.33 3.92 0.00 2.94 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 80 D 8.44 4.45 0.00 2.95 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 81 D 8.77 4.40 0.00 3.20 3.01 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 0.00 0.00 0.00 82 A 8.17 4.22 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 83 I 8.42 4.15 2.03 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 1.40 2.13 1.04 0.00 0.00 84 H 8.07 4.21 0.00 3.47 3.63 0.00 5.80 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 85 E 8.22 4.41 0.00 2.14 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 2.79 2.61 0.00 86 G 7.83 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.70 4.62 0.00 2.78 3.11 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 88 V 7.19 4.03 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 0.78 0.00 0.00 0.89 0.00 0.00 89 I 7.93 4.25 1.81 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 1.35 0.91 0.82 0.00 0.00 90 K 7.92 4.18 0.00 1.63 1.55 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.27 7.81 91 N 8.21 3.92 0.00 2.60 2.40 0.00 0.00 6.79 8.06 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 92 P 0.00 4.40 0.00 1.65 1.99 0.00 2.20 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.97 0.00 93 T 6.83 4.02 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 0.96 0.00 0.00 94 Y 7.58 4.12 0.00 2.89 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 95 K 7.91 4.56 0.00 2.07 1.90 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.71 1.50 7.81 96 A 7.83 4.47 1.53 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 0.00 0.00 97 E 7.77 4.17 0.00 2.04 2.17 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 2.36 2.37 0.00 98 L 8.30 4.36 0.00 1.79 1.73 0.88 1.08 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 99 H 7.68 4.52 0.00 3.18 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.08 4.38 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 S 8.46 4.32 0.00 3.90 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 0.00 102 V 7.85 3.78 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 0.77 0.00 0.00 1.05 0.00 0.00 103 L 7.79 4.77 0.00 1.63 1.60 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.26 3.99 0.00 1.95 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 2.53 0.00 105 H 8.44 4.55 0.00 3.25 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.30 4.84 0.00 3.08 3.14 0.00 5.71 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 0.00 107 H 8.63 4.79 0.00 3.29 3.34 0.00 5.51 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 H 8.34 4.70 0.00 3.08 3.21 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 7.72 4.94 0.00 3.14 3.13 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.39 4.41 0.00 3.17 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00