NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2357 8.3144 122.0398 54.4627 33.5541 174.6916 5 V 3.8774 7.6781 117.6737 59.4024 33.9521 173.7599 6 T 4.9441 8.5879 115.7522 58.4525 73.0847 173.9816 7 K 4.1167 8.4424 118.9604 59.3488 32.1302 179.3711 8 A 4.0242 7.5065 120.2074 55.1176 18.4218 177.7432 9 H 4.6283 8.4324 111.8789 55.4599 28.9029 174.3524 10 N 3.7456 7.7956 119.4747 55.3728 38.7190 175.2516 11 G 3.8635 9.3286 114.8854 45.1366 0.0000 173.1771 12 A 4.3768 7.9524 122.0276 52.0463 20.0760 176.4671 13 T 5.1519 8.4232 115.8749 61.9048 70.5968 174.0347 14 L 4.7740 8.9693 126.7177 53.1190 44.5916 175.3696 15 T 4.8021 8.4635 118.2855 61.3342 68.6410 173.7237 16 V 4.6249 8.8122 126.8941 61.6462 36.0318 173.2234 17 A 4.9060 8.2699 125.5921 49.7569 20.9409 176.9183 18 V 3.9242 8.1959 120.4436 64.7156 31.8476 176.5262 19 G 4.0556 9.3697 116.4511 45.1341 0.0000 173.5423 20 E 4.2300 8.0484 119.7556 56.1260 30.8803 175.6160 21 L 4.8452 8.4148 125.3651 54.0381 43.4749 175.5547 22 V 4.2136 8.9786 127.2491 61.1862 33.6109 173.9703 23 E 4.6117 8.6540 129.8024 55.4447 30.9277 174.5350 24 I 4.7636 8.7777 128.9191 59.7888 39.2890 174.7795 25 Q 4.9279 8.9145 125.8960 54.0114 31.9830 174.5215 26 L 4.6555 8.8113 123.8997 51.8528 45.5311 174.5763 27 P 4.8943 0.0000 0.0000 63.2645 32.3705 175.9242 28 S 4.7669 9.0860 116.5097 57.7286 66.6973 172.9690 29 N 5.2787 9.4016 126.3634 50.9482 39.4790 172.7800 30 P 4.4070 0.0000 0.0000 64.7247 32.0917 178.5404 31 T 4.1417 8.0827 109.6343 63.4722 68.8937 175.6305 32 T 4.4372 7.8589 111.2083 61.3621 69.9456 175.7569 33 G 4.2139 8.2405 111.4070 45.3250 0.0000 173.2681 34 F 4.5663 7.6747 117.3517 57.1412 40.1357 174.7065 35 A 4.4942 8.1690 122.1825 51.1112 23.3449 174.6788 36 W 5.2580 8.9525 119.1580 56.0130 30.4339 176.3921 37 Y 5.1715 9.1060 121.0622 56.2639 42.4000 175.0654 38 F 4.9715 9.2633 121.3476 56.7297 40.8488 174.5852 39 E 4.2369 8.9178 121.3461 57.9686 29.7157 176.8188 40 G 4.0050 9.1013 114.1726 44.6014 0.0000 173.2757 41 G 3.4473 8.0274 106.9434 47.0203 0.0000 173.2383 42 T 4.8786 7.9315 111.5180 60.0149 70.5769 173.8548 43 K 4.9235 8.8881 123.6030 56.8237 32.8520 176.8282 44 E 4.4836 8.2536 119.3564 54.6852 30.6045 176.2039 45 S 3.4053 8.4271 116.0477 58.0406 62.6498 172.7618 46 P 4.1010 0.0000 0.0000 65.4934 31.4172 175.9715 47 N 4.4322 7.3991 116.4144 52.2682 39.6956 173.9984 48 E 3.9503 8.4976 127.2299 58.8990 29.9495 178.4842 49 S 4.2672 7.9141 114.0576 61.2787 63.4646 175.4827 50 M 4.2537 8.1976 120.2844 57.2922 32.2375 176.0134 51 F 5.3804 7.0605 109.9912 55.9743 40.6146 173.6861 52 T 4.5193 8.7362 112.5320 60.9120 70.9562 173.6742 53 V 5.0659 8.3151 122.3616 61.3827 34.4390 174.1385 54 E 4.8892 9.2296 128.2522 54.7127 32.6409 173.8517 55 N 5.3070 8.3912 120.7129 52.1459 42.6199 173.6930 56 K 4.4219 8.6886 123.3146 55.3783 36.9115 174.1998 57 Y 4.9187 8.4417 125.9324 56.4780 41.0332 173.8719 58 F 4.7718 8.1115 125.0927 54.6020 41.7456 173.3863 59 P 4.7246 0.0000 0.0000 61.5649 32.2178 174.4975 60 P 4.5044 0.0000 0.0000 62.4300 32.0051 176.2094 61 D 4.4105 8.4745 118.4126 56.3578 41.5336 176.7214 62 S 4.1513 8.0342 113.1383 59.1293 62.6106 173.5280 63 K 4.5151 8.4661 124.9319 56.1709 32.0328 176.7370 64 L 4.2357 7.6057 119.7421 54.3697 42.1491 176.3306 65 L 4.3174 8.3060 122.1604 55.8243 42.0965 177.6442 66 G 4.2816 9.0382 111.8703 44.3010 0.0000 173.0743 67 A 4.1281 7.3079 123.4424 51.8163 18.7936 178.0422 68 G 4.1630 8.6714 112.3459 45.1515 0.0000 174.1739 69 G 4.3216 8.8119 107.3473 45.3581 0.0000 173.4115 70 T 5.3967 8.6837 120.0829 62.1211 73.3272 172.6383 71 E 5.0444 9.7597 126.4275 55.6990 31.6066 174.7394 72 H 5.3251 9.6051 122.1625 54.3533 31.1326 173.8115 73 F 5.0383 9.3893 123.0131 56.1888 41.3926 174.7440 74 H 5.1013 9.2782 122.9361 54.7734 29.6188 174.2561 75 V 4.9233 8.7858 124.9325 61.4918 33.5860 174.4817 76 T 5.3982 8.5360 124.6404 60.8256 71.1271 173.8345 77 V 4.2991 8.5017 127.1412 63.0486 32.3061 176.2162 78 K 4.8781 9.4438 125.6927 56.3268 34.2632 176.0216 79 A 4.7110 7.8816 120.3877 49.7817 22.3370 175.4337 80 A 4.2225 8.3299 122.4795 52.3498 19.2636 177.0067 81 G 4.1330 7.6956 106.2147 43.5656 0.0000 172.7036 82 T 4.8498 7.9370 117.0437 62.3536 69.6921 174.2377 83 H 5.0795 9.1639 125.0055 53.7317 31.1449 174.1356 84 A 4.3649 8.9919 126.3365 51.7947 19.2196 177.1533 85 V 4.2565 8.5644 124.3230 60.8917 32.7925 174.9516 86 N 5.1000 8.9424 123.9953 51.6278 40.0284 174.4068 87 L 4.9430 8.9516 124.2959 53.1205 45.4958 175.8882 88 T 5.2058 9.0664 117.8814 62.0713 72.6079 172.5338 89 Y 4.4889 8.7891 128.4097 56.9314 39.1237 174.2423 90 M 4.6582 8.7009 123.6645 54.1863 35.4711 174.1271 91 R 4.0451 7.4366 118.5107 53.8418 30.7660 176.3683 92 P 3.8777 0.0000 0.0000 65.0455 31.5035 177.5487 93 W 4.3475 8.1367 114.4226 58.1761 28.7102 176.8598 94 T 3.8577 6.9878 114.9248 63.6519 68.9773 175.6919 95 G 3.7244 7.6391 108.2173 43.7642 0.0000 170.8309 96 P 4.5203 0.0000 0.0000 62.1076 32.4383 174.8479 97 S 4.7565 8.4155 112.9996 56.1656 66.2984 174.3291 98 H 4.0984 8.9456 119.4616 59.5419 29.2089 175.4113 99 D 4.9070 7.8648 115.7335 54.1874 41.0928 176.6831 100 S 4.3815 7.7209 115.4387 58.1221 63.6500 173.8192 101 E 4.2794 8.6848 125.1362 56.3603 30.4873 175.5624 102 R 5.4781 8.8072 124.9158 54.4395 33.9080 174.5683 103 F 5.0154 9.4854 124.1654 56.7459 42.3889 173.8410 104 T 4.8760 8.6898 122.0691 61.4817 72.3843 173.2794 105 V 4.1944 7.8439 124.0867 59.9401 35.2632 173.7708 106 Y 4.9493 8.4360 120.4299 56.4480 40.4006 174.5734 107 L 4.9568 8.9716 124.8386 53.0778 44.1013 175.6228 108 K 4.9113 9.1226 127.4584 54.9376 33.5789 174.6409 109 A 5.6414 8.6198 130.0958 49.2220 21.6282 175.9993 110 N 4.4294 8.7254 119.6467 53.8217 39.1255 174.6503 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 4 K 8.31 4.24 0.00 1.72 1.64 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.41 7.81 5 V 7.68 3.88 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 1.08 0.00 0.00 0.84 0.00 0.00 6 T 8.59 4.94 4.19 0.00 0.00 0.00 0.00 0.00 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 7 K 8.44 4.12 0.00 1.80 1.94 0.00 1.70 0.00 0.00 2.02 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.26 7.81 8 A 7.51 4.02 1.26 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 9 H 8.43 4.63 0.00 3.53 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.80 3.75 0.00 2.92 2.72 0.00 0.00 7.20 8.13 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 11 G 9.33 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 12 A 7.95 4.38 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 13 T 8.42 5.15 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 1.23 0.00 0.00 14 L 8.97 4.77 0.00 1.54 1.54 0.90 0.30 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 15 T 8.46 4.80 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 1.21 0.00 0.00 16 V 8.81 4.62 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 0.88 0.00 0.00 0.93 0.00 0.00 17 A 8.27 4.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 3.92 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 0.93 0.00 0.00 0.97 0.00 0.00 19 G 9.37 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 20 E 8.05 4.23 0.00 2.10 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 2.27 0.00 21 L 8.41 4.85 0.00 1.66 1.56 0.76 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.98 4.21 2.05 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 0.91 0.00 0.00 0.91 0.00 0.00 23 E 8.65 4.61 0.00 1.94 1.73 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 2.27 2.32 0.00 24 I 8.78 4.76 1.86 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 1.18 0.58 0.47 0.00 0.00 25 Q 8.91 4.93 0.00 1.76 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 1.75 2.09 0.00 26 L 8.81 4.66 0.00 1.08 0.89 -0.98 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.89 0.00 1.95 2.02 0.00 3.71 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 28 S 9.09 4.77 0.00 4.36 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 29 N 9.40 5.28 0.00 2.86 2.79 0.00 0.00 6.59 7.70 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 30 P 0.00 4.41 0.00 2.08 1.99 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.77 0.00 31 T 8.08 4.14 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 1.29 0.00 0.00 32 T 7.86 4.44 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 1.29 0.00 0.00 33 G 8.24 4.21 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 0.00 34 F 7.67 4.57 0.00 2.31 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 35 A 8.17 4.49 1.07 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 36 W 8.95 5.26 0.00 3.42 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 37 Y 9.11 5.17 0.00 2.91 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 38 F 9.26 4.97 0.00 3.32 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 39 E 8.92 4.24 0.00 2.05 1.97 0.00 0.00 0.00 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 2.38 0.00 40 G 9.10 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 41 G 8.03 3.45 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 0.00 0.00 0.00 42 T 7.93 4.88 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 1.41 0.00 0.00 43 K 8.89 4.92 0.00 1.99 2.10 0.00 1.95 0.00 0.00 1.94 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.66 1.51 7.81 44 E 8.25 4.48 0.00 1.99 1.85 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 2.39 2.42 0.00 45 S 8.43 3.41 0.00 3.59 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 46 P 0.00 4.10 0.00 1.91 2.06 0.00 3.12 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 47 N 7.40 4.43 0.00 2.56 2.40 0.00 0.00 6.71 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 48 E 8.50 3.95 0.00 1.84 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 2.25 2.36 0.00 49 S 7.91 4.27 0.00 4.04 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 50 M 8.20 4.25 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 51 F 7.06 5.38 0.00 3.05 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 52 T 8.74 4.52 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 1.23 0.00 0.00 53 V 8.32 5.07 2.32 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 1.32 0.00 0.00 1.29 0.00 0.00 54 E 9.23 4.89 0.00 2.20 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 55 N 8.39 5.31 0.00 2.53 2.54 0.00 0.00 6.82 6.68 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 56 K 8.69 4.42 0.00 1.57 1.31 0.00 0.95 0.00 0.00 1.28 0.00 0.00 2.63 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.20 1.37 7.81 57 Y 8.44 4.92 0.00 3.01 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 58 F 8.11 4.77 0.00 2.84 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 59 P 0.00 4.72 0.00 2.12 2.20 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 60 P 0.00 4.50 0.00 2.23 2.31 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 61 D 8.47 4.41 0.00 2.66 2.74 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 0.00 0.00 0.00 0.00 62 S 8.03 4.15 0.00 3.88 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.47 4.52 0.00 1.79 1.82 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.40 7.81 64 L 7.61 4.24 0.00 1.76 1.60 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.31 4.32 0.00 1.66 1.63 0.93 1.01 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 66 G 9.04 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 0.00 0.00 0.00 0.00 67 A 7.31 4.13 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 68 G 8.67 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 0.00 0.00 0.00 69 G 8.81 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 0.00 0.00 0.00 0.00 70 T 8.68 5.40 4.33 0.00 0.00 0.00 0.00 0.00 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 71 E 9.76 5.04 0.00 2.15 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 2.46 2.64 0.00 72 H 9.61 5.33 0.00 3.19 3.36 0.00 5.77 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 9.39 5.04 0.00 2.92 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 74 H 9.28 5.10 0.00 3.17 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.79 4.92 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 0.86 0.00 0.00 1.06 0.00 0.00 76 T 8.54 5.40 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 1.32 0.00 0.00 77 V 8.50 4.30 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 1.11 0.00 0.00 0.96 0.00 0.00 78 K 9.44 4.88 0.00 1.76 1.82 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.52 7.81 79 A 7.88 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 80 A 8.33 4.22 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 81 G 7.70 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 82 T 7.94 4.85 4.21 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 1.22 0.00 0.00 83 H 9.16 5.08 0.00 3.00 3.46 0.00 5.61 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 84 A 8.99 4.36 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 0.00 0.00 85 V 8.56 4.26 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 0.48 0.00 0.00 0.90 0.00 0.00 86 N 8.94 5.10 0.00 2.74 2.85 0.00 0.00 6.98 7.85 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 87 L 8.95 4.94 0.00 1.46 1.59 -0.24 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 88 T 9.07 5.21 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 1.32 0.00 0.00 89 Y 8.79 4.49 0.00 1.43 2.31 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 90 M 8.70 4.66 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.66 0.00 91 R 7.44 4.05 0.00 0.67 0.66 0.00 2.38 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 92 P 0.00 3.88 0.00 2.03 1.59 0.00 3.77 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 2.18 1.99 0.00 93 W 8.14 4.35 0.00 3.32 3.24 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 94 T 6.99 3.86 3.61 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 0.99 0.00 0.00 95 G 7.64 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 0.00 0.00 0.00 96 P 0.00 4.52 0.00 2.21 2.07 0.00 3.66 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 1.96 0.00 97 S 8.42 4.76 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.95 4.10 0.00 3.07 3.44 0.00 5.91 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.86 4.91 0.00 2.72 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 0.00 100 S 7.72 4.38 0.00 3.93 3.84 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 0.00 0.00 0.00 101 E 8.68 4.28 0.00 2.04 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 2.60 2.42 0.00 102 R 8.81 5.48 0.00 1.77 1.87 0.00 3.25 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 103 F 9.49 5.02 0.00 2.79 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 0.00 104 T 8.69 4.88 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 0.41 0.00 0.00 105 V 7.84 4.19 1.86 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 0.74 0.00 0.00 0.88 0.00 0.00 106 Y 8.44 4.95 0.00 3.02 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 0.00 107 L 8.97 4.96 0.00 1.54 1.58 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 108 K 9.12 4.91 0.00 1.82 1.81 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.36 7.81 109 A 8.62 5.64 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 0.00 110 N 8.73 4.43 0.00 2.68 2.71 0.00 0.00 6.98 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