NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4105 8.1776 115.4016 57.7031 65.0772 175.3577 2 D 4.1693 8.1467 120.8537 55.4346 39.3210 175.5819 3 K 4.3970 8.7388 117.9054 56.0487 33.3717 176.6918 4 I 4.5937 7.2151 120.5512 59.8038 38.8009 175.4735 5 I 4.0644 8.5663 128.0712 61.1034 38.4731 174.4222 6 H 4.8595 8.8510 127.3805 55.4030 30.2271 174.2850 7 L 4.8152 8.4679 126.3248 53.4948 44.1601 175.6358 8 T 4.8369 8.3272 110.1419 59.6542 72.0570 174.4699 9 D 4.7545 8.7567 119.7848 57.0509 40.7673 178.8818 10 D 4.5770 7.7776 117.3618 56.3061 41.0359 177.5011 11 S 4.2065 8.3419 115.4368 59.7021 63.0904 173.6851 12 F 5.2456 7.9324 119.3214 55.6837 41.1975 174.8550 13 D 4.9450 8.4089 122.9515 53.4103 41.5020 175.6178 14 T 4.0958 7.2613 119.6916 63.1490 71.8186 172.6672 15 D 4.8701 9.3754 116.1808 52.0726 39.8106 175.5607 16 V 4.5533 7.6513 120.8763 61.4355 32.4353 174.6385 17 L 4.0539 8.4716 129.9436 54.7920 42.6650 177.3446 18 K 4.2609 8.1751 128.3121 55.1964 31.6272 176.5583 19 A 4.4917 7.0969 119.1874 51.0044 22.3500 175.9105 20 D 4.5774 8.4293 120.2460 53.9138 43.2577 177.1868 21 G 3.7308 8.4056 109.5141 44.4046 0.0000 171.1829 22 A 5.0633 8.2400 119.9694 51.1343 20.6309 177.1069 23 I 5.0849 8.8299 122.9292 59.6050 41.8139 174.0080 24 L 5.0540 9.2330 130.2477 53.7250 43.6583 175.0388 25 V 4.7350 9.2888 127.8659 61.4375 33.5583 173.8675 26 D 5.1813 9.2185 129.0502 53.0669 42.8119 174.9958 27 F 5.1145 9.6319 126.9748 56.4016 40.5467 175.2994 28 W 5.5849 8.9415 119.9292 55.7542 32.4141 173.0967 29 A 3.8670 7.9937 119.3563 50.2099 21.2444 177.2734 30 E 4.1406 8.2939 121.0815 58.7500 29.9710 178.3107 31 W 4.3015 7.6581 114.2402 58.0602 28.8855 176.9796 32 C 4.6065 7.4454 120.2484 55.2939 41.2911 173.5808 33 G 3.7443 8.7909 115.5800 47.8835 0.0000 172.4790 34 P 4.3251 0.0000 0.0000 65.0384 30.8392 179.4112 35 C 4.3059 8.1421 115.0526 60.0801 39.9659 176.1508 36 K 3.8517 7.6647 118.4328 59.5130 31.6647 179.0811 37 M 4.1962 7.8002 118.8058 58.0526 32.1074 178.2066 38 I 3.9533 7.7561 111.7446 62.2690 38.1553 177.6542 39 A 3.7857 7.4418 123.2756 54.9473 18.1455 177.8427 40 P 4.1856 0.0000 0.0000 65.9238 31.3313 178.7386 41 I 3.6819 7.5943 119.2439 64.1910 37.0455 178.0833 42 L 3.9777 8.1410 120.1002 57.8527 41.3657 179.3851 43 D 4.2854 7.8959 118.7603 57.3049 40.7308 178.6724 44 E 3.8938 8.0750 119.0163 59.4126 29.3868 179.3772 45 I 3.4989 7.8709 119.6494 64.3353 36.9554 178.3149 46 A 4.0034 7.9612 120.5557 55.0627 18.3301 179.0163 47 D 4.3432 8.0613 116.4365 57.7395 41.2148 178.4311 48 E 3.8992 8.2731 117.9984 58.6201 29.4716 178.0053 49 Y 4.9759 7.7136 115.4937 56.6452 38.5859 175.0691 50 Q 4.1432 7.2397 121.9671 57.8833 29.4087 177.0792 51 G 4.0928 9.1296 113.3126 45.2079 0.0000 173.9029 52 K 4.4434 8.2401 117.6873 56.7813 34.2588 176.3705 53 L 4.9016 7.6385 118.6945 53.6626 45.2723 175.6533 54 T 4.5588 8.7751 122.7096 62.3222 70.6359 173.6806 55 V 4.8853 8.3629 125.1365 61.2439 34.0730 174.1832 56 A 5.2629 9.2909 128.4255 50.2908 23.3148 174.6710 57 K 5.0310 8.9832 117.4669 54.5495 36.9376 175.6726 58 L 4.7909 8.9317 125.3642 53.1256 45.0407 174.8678 59 N 4.2679 8.6829 126.7043 52.9003 38.9201 175.5678 60 I 3.9915 8.3858 121.0821 63.7774 38.4978 178.4334 61 D 4.4159 8.1660 122.3061 57.3889 40.8787 177.5675 62 Q 4.2067 8.3631 117.0465 57.8930 29.0836 176.1241 63 N 5.0357 8.0029 114.7762 50.8241 38.8243 172.1940 64 P 4.7467 0.0000 0.0000 62.6812 32.5882 178.5952 65 G 3.7482 8.3484 108.6029 48.6913 0.0000 175.6535 66 T 3.9138 8.3338 116.7765 66.5006 69.0145 176.6064 67 A 3.8717 8.3893 122.7744 55.0083 18.3174 177.6596 68 P 4.1625 0.0000 0.0000 65.7701 31.1167 178.8803 69 K 3.9368 7.8410 116.1830 58.4298 30.4978 177.2931 70 Y 4.4209 7.7622 115.4232 56.9792 38.3382 176.4101 71 G 4.0002 7.9573 107.3398 46.3347 0.0000 174.2026 72 I 3.7978 7.1129 119.6755 61.1119 37.2394 176.3640 73 R 4.5403 8.6053 122.9671 56.1026 32.0474 175.6498 74 G 4.3352 7.6908 104.8853 43.9985 0.0000 171.5245 75 I 4.8138 7.8980 111.9596 57.7348 40.8887 173.4118 76 P 5.1077 0.0000 0.0000 62.8069 32.9147 174.9363 77 T 5.0086 8.6167 117.9647 61.8768 71.7964 172.6275 78 L 5.2472 8.8845 126.8094 53.2399 43.9900 175.3657 79 L 5.0432 9.1942 124.1950 52.7923 44.7679 175.0641 80 L 5.1186 8.9540 126.3853 53.7060 43.9125 174.9784 81 F 5.2081 9.6638 125.6696 55.9273 41.8371 175.1108 82 K 4.7180 8.9271 121.7624 54.6580 34.9639 176.1527 83 N 4.1676 9.6421 125.8698 54.6002 38.1331 175.0309 84 G 4.0750 8.4125 105.0398 44.4601 0.0000 172.5768 85 E 5.0216 8.0675 120.8689 53.7205 31.6777 175.1786 86 V 3.3407 8.4656 125.1405 63.1691 31.8322 175.1391 87 A 4.6984 8.8041 128.5218 52.4603 21.0450 175.7527 88 A 4.6668 7.5918 115.0965 51.6691 22.6071 174.7837 89 C 5.2688 8.6322 112.8705 57.3377 33.2189 173.7060 90 K 4.3114 8.9104 121.2240 55.4006 34.9859 174.6324 91 V 4.2562 8.4308 128.1605 62.7800 32.6368 176.3497 92 G 3.9435 9.2611 114.1218 45.0228 0.0000 173.1910 93 A 4.1240 8.0688 123.0705 52.4319 18.9091 176.7510 94 L 4.5357 7.7493 118.6556 53.2713 43.3981 175.8867 95 S 4.4440 8.9702 115.5328 57.4299 65.1293 175.1049 96 K 3.9555 8.5888 122.4801 59.7514 31.7997 178.8216 97 G 3.6104 8.0358 105.3738 47.9878 0.0000 175.5885 98 Q 4.3574 8.1498 121.8692 57.9487 28.6403 178.5665 99 L 4.0144 8.2171 121.6526 58.1466 42.1019 179.1222 100 K 4.1289 8.4644 118.7576 59.4647 31.5478 179.1242 101 E 3.9802 8.4625 118.9282 59.3878 29.4694 179.0725 102 F 4.1698 8.4571 120.6179 61.3873 39.3979 177.1767 103 L 3.8898 8.3069 118.6002 57.8501 41.2241 178.9139 104 D 4.2257 8.1754 116.8130 57.3561 41.1815 178.0143 105 A 4.0540 7.9534 120.1186 54.1729 18.3733 178.2597 106 N 4.6315 7.2472 112.4507 53.0969 40.2125 174.8848 107 L 4.2569 7.8209 124.4150 54.6816 42.1883 176.0484 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 S 8.18 4.41 0.00 3.96 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 2 D 8.15 4.17 0.00 2.87 2.83 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 0.00 0.00 0.00 3 K 8.74 4.40 0.00 1.74 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.42 7.81 4 I 7.22 4.59 1.96 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 1.18 0.49 0.85 0.00 0.00 5 I 8.57 4.06 1.84 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 1.09 0.57 0.87 0.00 0.00 6 H 8.85 4.86 0.00 3.19 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.47 4.82 0.00 1.65 1.56 0.75 0.48 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 8 T 8.33 4.84 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 1.25 0.00 0.00 9 D 8.76 4.75 0.00 2.81 2.84 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 10 D 7.78 4.58 0.00 2.66 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 11 S 8.34 4.21 0.00 3.69 3.49 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 12 F 7.93 5.25 0.00 2.97 3.16 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 13 D 8.41 4.94 0.00 2.82 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 14 T 7.26 4.10 4.27 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 1.31 0.00 0.00 15 D 9.38 4.87 0.00 2.98 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.65 4.55 2.44 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 1.03 0.00 0.00 1.03 0.00 0.00 17 L 8.47 4.05 0.00 0.78 0.95 -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.18 4.26 0.00 1.67 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.46 7.81 19 A 7.10 4.49 1.03 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 20 D 8.43 4.58 0.00 2.61 2.56 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 0.00 0.00 0.00 0.00 21 G 8.41 3.73 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 0.00 0.00 0.00 22 A 8.24 5.06 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 23 I 8.83 5.08 1.93 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 1.10 0.70 0.92 0.00 0.00 24 L 9.23 5.05 0.00 1.84 1.63 1.09 0.67 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 25 V 9.29 4.73 2.48 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 0.75 0.00 0.00 1.03 0.00 0.00 26 D 9.22 5.18 0.00 2.78 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 27 F 9.63 5.11 0.00 3.11 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 28 W 8.94 5.58 0.00 3.36 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 29 A 7.99 3.87 0.22 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 0.00 0.00 30 E 8.29 4.14 0.00 1.87 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 2.38 2.46 0.00 31 W 7.66 4.30 0.00 3.52 3.17 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 0.00 32 C 7.45 4.61 0.00 2.05 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.79 3.74 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 0.00 0.00 0.00 34 P 0.00 4.33 0.00 2.17 2.12 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 35 C 8.14 4.31 0.00 3.21 3.29 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 36 K 7.66 3.85 0.00 1.89 1.87 0.00 1.77 0.00 0.00 2.10 0.00 0.00 3.25 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.67 7.81 37 M 7.80 4.20 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 38 I 7.76 3.95 1.82 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 1.64 0.74 0.97 0.00 0.00 39 A 7.44 3.79 1.17 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 0.00 0.00 0.00 40 P 0.00 4.19 0.00 2.23 2.27 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 41 I 7.59 3.68 1.99 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 1.61 0.53 0.89 0.00 0.00 42 L 8.14 3.98 0.00 1.73 1.65 0.82 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.90 4.29 0.00 2.86 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 44 E 8.07 3.89 0.00 2.12 1.91 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 2.27 2.52 0.00 45 I 7.87 3.50 2.03 0.00 0.00 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 1.68 1.03 1.15 0.00 0.00 46 A 7.96 4.00 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 47 D 8.06 4.34 0.00 2.77 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 48 E 8.27 3.90 0.00 1.41 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 2.17 2.26 0.00 49 Y 7.71 4.98 0.00 3.12 2.84 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 50 Q 7.24 4.14 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 51 G 9.13 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 52 K 8.24 4.44 0.00 1.86 1.80 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.51 7.81 53 L 7.64 4.90 0.00 1.51 1.54 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.78 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 1.20 0.00 0.00 55 V 8.36 4.89 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 1.07 0.00 0.00 0.98 0.00 0.00 56 A 9.29 5.26 1.15 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 0.00 0.00 0.00 57 K 8.98 5.03 0.00 1.69 1.84 0.00 1.34 0.00 0.00 0.77 0.00 0.00 2.36 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.27 1.21 7.81 58 L 8.93 4.79 0.00 1.28 0.82 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.68 4.27 0.00 2.46 2.61 0.00 0.00 6.91 7.87 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 60 I 8.39 3.99 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 1.07 0.00 0.00 61 D 8.17 4.42 0.00 2.78 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 62 Q 8.36 4.21 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.13 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 63 N 8.00 5.04 0.00 2.79 2.92 0.00 0.00 7.01 7.53 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 64 P 0.00 4.75 0.00 2.19 2.18 0.00 3.52 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 1.98 1.93 0.00 65 G 8.35 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 0.00 0.00 0.00 66 T 8.33 3.91 4.30 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 0.58 0.00 0.00 67 A 8.39 3.87 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 68 P 0.00 4.16 0.00 2.14 2.11 0.00 3.62 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 2.11 2.19 0.00 69 K 7.84 3.94 0.00 1.50 1.35 0.00 1.52 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.55 7.81 70 Y 7.76 4.42 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 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 72 I 7.11 3.80 1.79 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.37 0.81 0.00 0.00 73 R 8.61 4.54 0.00 1.76 1.95 0.00 3.18 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 74 G 7.69 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 0.00 0.00 0.00 0.00 75 I 7.90 4.81 1.92 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.59 0.97 0.00 0.00 76 P 0.00 5.11 0.00 2.16 2.25 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 77 T 8.62 5.01 4.18 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 1.10 0.00 0.00 78 L 8.88 5.25 0.00 1.42 1.57 0.76 0.45 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 79 L 9.19 5.04 0.00 1.78 1.19 0.36 0.29 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 80 L 8.95 5.12 0.00 1.92 1.58 1.03 0.60 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 81 F 9.66 5.21 0.00 2.95 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 82 K 8.93 4.72 0.00 1.67 1.71 0.00 1.79 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.34 7.81 83 N 9.64 4.17 0.00 2.83 2.85 0.00 0.00 7.39 7.25 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 84 G 8.41 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 0.00 0.00 0.00 85 E 8.07 5.02 0.00 2.10 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 2.26 2.29 0.00 86 V 8.47 3.34 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 0.62 0.00 0.00 0.30 0.00 0.00 87 A 8.80 4.70 1.19 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 0.00 0.00 0.00 88 A 7.59 4.67 1.14 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 89 C 8.63 5.27 0.00 2.97 2.82 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 90 K 8.91 4.31 0.00 0.90 1.16 0.00 1.62 0.00 0.00 1.44 0.00 0.00 2.69 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.87 1.00 7.81 91 V 8.43 4.26 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 0.82 0.00 0.00 0.90 0.00 0.00 92 G 9.26 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 93 A 8.07 4.12 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 94 L 7.75 4.54 0.00 1.82 1.56 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.97 4.44 0.00 4.06 4.04 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 96 K 8.59 3.96 0.00 1.83 1.85 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.50 7.81 97 G 8.04 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 0.00 0.00 0.00 0.00 98 Q 8.15 4.36 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 99 L 8.22 4.01 0.00 1.76 1.86 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.46 4.13 0.00 2.04 1.97 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.71 7.81 101 E 8.46 3.98 0.00 2.31 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 2.37 2.59 0.00 102 F 8.46 4.17 0.00 3.18 3.25 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 0.00 103 L 8.31 3.89 0.00 1.88 1.59 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.18 4.23 0.00 2.72 2.83 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 0.00 0.00 0.00 105 A 7.95 4.05 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 0.00 106 N 7.25 4.63 0.00 2.47 2.63 0.00 0.00 6.80 7.73 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 0.00 107 L 7.82 4.26 0.00 1.54 1.41 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00