NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5804 8.2893 118.1938 55.3360 33.4593 174.2372 2 D 4.9546 8.2127 129.6427 53.0977 38.9727 176.5244 3 S 4.5297 8.8492 112.6111 60.6827 63.7733 175.8070 4 N 4.4197 8.3715 119.3979 56.4542 38.8044 176.1144 5 D 4.4475 9.0406 120.3732 56.2470 40.9939 178.6842 6 L 4.1751 7.9255 121.3339 57.9622 42.6290 177.5937 7 E 4.1605 8.1464 118.6657 60.1598 29.5174 178.1948 8 A 3.6093 8.3182 116.2521 55.3250 18.3406 179.0638 9 S 3.8966 7.6857 111.8727 61.6059 63.2128 176.5771 10 F 4.2083 8.6799 121.2170 59.2791 38.4906 177.3701 11 T 4.1986 8.0268 108.5092 65.6698 68.3979 175.9339 12 S 3.9358 8.1777 118.2236 60.7258 63.0513 176.0046 13 R 4.3247 8.7277 117.5327 56.4011 30.3677 176.6198 14 L 4.4778 8.1931 118.8555 53.1045 42.9520 175.5503 15 P 4.3604 0.0000 0.0000 61.6735 32.9784 175.8658 16 P 4.1859 0.0000 0.0000 66.7226 31.5952 177.8036 17 E 3.6794 8.6806 115.0527 59.0119 29.0471 179.4421 18 I 3.5769 7.4075 119.6297 64.7003 37.6542 177.7614 19 V 3.5273 7.2635 116.9363 66.5875 31.2045 177.3811 20 A 3.9924 9.0535 121.2464 54.4285 18.0353 179.3138 21 A 3.9712 7.7644 117.1799 55.3551 18.5501 179.8163 22 L 3.9349 8.1372 116.3210 57.2685 41.7273 179.0296 23 K 4.1632 8.9539 119.3340 57.5648 32.4349 176.6901 24 R 4.0370 7.2166 117.7592 56.3765 30.4263 174.2246 25 K 4.5810 7.9484 118.8406 54.2039 35.1444 175.4863 26 S 4.2309 8.5626 114.6799 58.6142 60.4188 172.5478 27 S 4.8680 8.0319 121.7775 55.3742 65.6881 174.6764 28 R 3.9032 8.1798 116.4141 59.3808 29.2847 176.5419 29 D 4.3086 8.0934 118.9362 53.1550 41.5224 175.2738 30 P 4.3997 0.0000 0.0000 65.8536 31.5053 176.9758 31 N 4.9789 7.8117 114.0862 53.3961 38.1143 175.9168 32 S 4.5467 8.4320 109.1263 58.0287 65.4309 173.4458 33 R 4.4129 8.0341 121.5062 56.3507 30.4892 178.0209 34 F 3.1422 8.1160 121.1926 56.6176 41.7290 176.6509 35 P 4.5517 0.0000 0.0000 65.3912 32.1541 178.0658 36 R 3.9671 8.6934 118.3007 58.9753 29.9050 178.0139 37 K 3.7400 8.0519 119.1291 59.5283 31.9590 178.2685 38 L 3.6485 8.2043 120.5370 58.4266 42.0790 178.0670 39 H 3.9511 8.4340 118.2263 59.9150 29.4430 176.0660 40 M 4.0078 8.3885 120.0415 58.2955 31.9433 177.5459 41 L 3.8307 7.6755 119.9048 58.8117 42.3397 178.5428 42 L 3.5530 7.9240 119.3815 58.9705 41.6179 178.9940 43 T 3.9591 8.3728 116.6007 67.1085 68.3367 175.6021 44 Y 4.3309 8.3364 121.8806 60.4976 39.0060 177.2672 45 L 3.6765 8.2605 119.8416 57.7747 41.5968 179.2196 46 A 4.2094 7.8324 119.2958 53.6721 18.3592 178.3122 47 S 4.6549 8.7861 111.1599 57.2649 65.5307 173.8423 48 N 4.8227 7.4418 120.7043 50.6935 38.4155 172.1305 49 P 4.0723 0.0000 0.0000 65.9438 31.7443 177.1060 50 Q 3.7669 8.0129 116.8978 59.8066 29.2619 178.4185 51 L 4.0533 7.9186 120.0350 58.8846 42.1625 178.1082 52 E 3.7802 8.5330 118.0457 59.6601 29.1489 178.9368 53 E 4.0316 8.2376 120.2447 59.4280 30.2332 178.7815 54 E 4.2827 8.1329 116.2581 58.0456 30.0287 177.3882 55 I 4.1241 9.2512 119.0771 62.6287 38.7300 173.2249 56 G 3.6063 8.7659 118.0848 45.5423 0.0000 171.7931 57 L 4.9358 10.8200 122.9822 54.4057 45.2767 172.9193 58 S 4.5657 8.9848 120.9304 56.4924 67.1829 173.3369 59 W 5.0931 8.6907 119.9205 57.2796 29.2045 175.8621 60 I 4.3096 9.3514 123.5570 62.6557 38.4027 176.4407 61 S 4.8319 7.8269 113.2498 56.8049 64.6598 172.6261 62 D 4.3433 8.4525 117.7767 55.1697 41.1932 177.4341 63 T 4.7222 7.8469 105.1814 61.4710 70.2846 173.1675 64 E 5.5043 8.1248 121.6077 55.1871 33.7400 174.5311 65 F 5.7753 8.8313 115.5977 55.9859 41.8124 172.9992 66 K 5.4815 9.7429 119.2799 55.9096 36.3311 174.7005 67 M 4.6371 9.0238 116.8399 54.8740 35.1472 173.8784 68 K 4.2867 7.6449 120.5242 53.9106 31.6201 177.8788 69 K 4.0476 8.0954 122.9496 58.7813 32.2714 177.2681 70 K 3.8079 7.9053 119.0857 59.9848 32.2545 177.9670 71 N 4.2074 8.5393 116.6924 56.5271 38.5747 176.9648 72 V 3.3990 7.6883 118.1452 66.3376 31.1970 177.5049 73 A 3.9046 7.9225 121.6900 54.9410 18.5954 179.2081 74 L 4.0670 8.3897 118.5917 57.3129 41.7026 179.3978 75 V 3.3955 7.1832 116.4770 66.2135 31.4466 177.5238 76 M 4.2057 8.0656 116.6242 55.6050 31.4249 177.8054 77 G 3.9358 7.5880 107.2057 45.7513 0.0000 173.6027 78 I 4.3848 6.9394 111.6598 58.6086 39.8789 176.2100 79 K 4.1774 8.1264 119.9808 55.7829 33.6330 177.9509 80 L 3.8725 8.3919 124.0452 59.1118 42.2747 178.2328 81 N 4.0657 8.4248 115.4388 57.3516 38.5077 175.9782 82 T 3.8066 7.8475 109.6397 65.1463 68.6962 175.5202 83 L 3.8138 8.1050 123.2773 57.9976 41.8153 178.6992 84 N 4.3350 8.1267 115.5866 56.1243 38.7244 177.6233 85 V 3.7217 7.5298 120.0022 65.0443 31.8347 177.7959 86 N 3.9845 8.0003 118.2881 55.8137 38.2915 177.0431 87 L 3.9734 7.8478 120.2458 57.5203 41.6591 179.4485 88 R 4.3124 8.4530 115.6055 58.3104 29.9603 178.1061 89 D 4.3678 8.1109 118.2025 57.2793 40.8207 177.6104 90 L 4.3023 8.0170 116.1429 54.4728 41.8099 176.4639 91 A 3.7277 8.1123 118.9027 53.3156 16.2150 178.4979 92 F 5.0431 8.2393 119.0389 57.3128 40.9810 176.8449 93 E 4.4017 10.1230 124.5621 55.6025 31.0132 176.3506 94 Q 3.3990 8.2134 127.4555 53.5885 27.4372 176.6323 95 L 4.3832 7.4845 121.8907 54.8750 40.3578 178.0971 96 Q 4.0175 7.6536 116.2022 56.4850 32.6704 173.2814 97 H 4.0306 8.2793 122.8489 58.0654 29.1792 174.7734 98 D 5.8500 7.9937 118.0230 56.0062 38.7651 176.2233 99 K 4.3001 7.9426 122.0172 56.5896 30.4699 176.4635 100 G 3.9163 9.1100 108.8507 45.7677 0.0000 169.4295 101 G 4.3134 9.2792 114.8494 45.7232 0.0000 171.9860 102 W 4.0196 7.8597 118.3603 57.0783 30.7545 175.5670 103 T 4.7422 8.3531 114.9804 62.9901 72.8435 172.7954 104 Q 5.2744 8.2342 123.4695 54.4649 32.7698 174.3681 105 W 5.4709 8.8848 120.6180 56.2895 34.5009 173.2276 106 K 5.1028 8.9387 118.0128 56.9083 35.5029 174.5070 107 R 4.6002 8.7557 119.9170 55.0731 32.8254 173.9798 108 S 4.1778 9.2715 117.2985 61.4367 62.9681 176.5766 109 G 3.9057 8.1724 111.1598 48.2308 0.0000 173.3115 110 F 4.0592 7.7456 122.6286 58.9905 39.7696 174.0185 111 T 4.3281 8.5570 120.9285 61.3631 70.5353 174.7423 112 R 2.7320 6.3330 126.9377 58.4777 30.6089 177.7867 113 N 5.1745 7.7099 113.1381 50.8887 37.6726 174.5190 114 S 4.8303 7.0404 115.1783 59.1398 66.0522 176.5758 115 V 4.3329 8.0992 123.0134 60.8720 32.6903 174.5233 116 F 4.4812 8.6905 129.6299 57.7883 39.6770 173.7408 117 E 4.2708 8.4888 124.4035 55.8740 31.3751 175.8753 118 D 4.1900 7.1189 123.4088 54.3959 41.4418 176.9376 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 8.29 4.58 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 2 D 8.21 4.95 0.00 2.94 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 0.00 0.00 0.00 3 S 8.85 4.53 0.00 3.89 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 4 N 8.37 4.42 0.00 2.84 2.90 0.00 0.00 7.17 8.49 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 5 D 9.04 4.45 0.00 2.86 2.72 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 6 L 7.93 4.18 0.00 1.91 2.02 1.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.15 4.16 0.00 2.12 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 2.34 2.53 0.00 8 A 8.32 3.61 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 9 S 7.69 3.90 0.00 3.81 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 10 F 8.68 4.21 0.00 3.27 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 11 T 8.03 4.20 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 1.34 0.00 0.00 12 S 8.18 3.94 0.00 3.94 4.01 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 13 R 8.73 4.32 0.00 1.81 1.99 0.00 3.14 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 14 L 8.19 4.48 0.00 1.67 1.50 1.08 1.27 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 15 P 0.00 4.36 0.00 1.91 1.85 0.00 3.09 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.08 0.00 16 P 0.00 4.19 0.00 1.98 2.12 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 17 E 8.68 3.68 0.00 1.95 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 2.36 2.44 0.00 18 I 7.41 3.58 1.82 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.39 0.79 0.00 0.00 19 V 7.26 3.53 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 0.79 0.00 0.00 0.96 0.00 0.00 20 A 9.05 3.99 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 21 A 7.76 3.97 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 22 L 8.14 3.93 0.00 1.75 1.70 0.85 0.76 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 23 K 8.95 4.16 0.00 1.55 1.93 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.46 7.81 24 R 7.22 4.04 0.00 1.97 1.90 0.00 3.31 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 25 K 7.95 4.58 0.00 1.66 1.67 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.38 7.81 26 S 8.56 4.23 0.00 3.88 3.82 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 27 S 8.03 4.87 0.00 3.93 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 28 R 8.18 3.90 0.00 1.96 2.11 0.00 3.25 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 29 D 8.09 4.31 0.00 2.76 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 30 P 0.00 4.40 0.00 2.19 2.09 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 31 N 7.81 4.98 0.00 2.90 2.82 0.00 0.00 6.76 7.45 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 32 S 8.43 4.55 0.00 4.21 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 33 R 8.03 4.41 0.00 2.01 1.96 0.00 3.15 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 34 F 8.12 3.14 0.00 3.11 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 35 P 0.00 4.55 0.00 2.39 2.30 0.00 3.90 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.55 0.00 36 R 8.69 3.97 0.00 1.86 1.92 0.00 3.10 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 37 K 8.05 3.74 0.00 1.87 1.67 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.47 7.81 38 L 8.20 3.65 0.00 0.82 1.41 0.23 0.77 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 39 H 8.43 3.95 0.00 3.06 3.24 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 M 8.39 4.01 0.00 2.29 1.99 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 41 L 7.68 3.83 0.00 1.66 1.52 0.93 0.42 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 42 L 7.92 3.55 0.00 1.38 1.39 -0.86 -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.37 3.96 4.51 0.00 0.00 0.00 0.00 0.00 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 44 Y 8.34 4.33 0.00 2.94 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 45 L 8.26 3.68 0.00 1.62 1.66 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.83 4.21 1.42 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 0.00 0.00 47 S 8.79 4.65 0.00 3.96 3.91 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 48 N 7.44 4.82 0.00 2.44 2.22 0.00 0.00 7.10 7.03 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 49 P 0.00 4.07 0.00 2.18 2.06 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 50 Q 8.01 3.77 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 51 L 7.92 4.05 0.00 2.09 1.64 1.09 0.78 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 52 E 8.53 3.78 0.00 2.00 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 0.00 2.33 2.54 0.00 53 E 8.24 4.03 0.00 2.05 2.22 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 2.40 2.41 0.00 54 E 8.13 4.28 0.00 2.05 1.99 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 2.34 2.44 0.00 55 I 9.25 4.12 1.88 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 1.90 1.00 0.64 0.00 0.00 56 G 8.77 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 57 L 10.82 4.94 0.00 1.49 1.46 0.71 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.98 4.57 0.00 3.96 3.96 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 59 W 8.69 5.09 0.00 3.28 3.33 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 60 I 9.35 4.31 2.08 0.00 0.00 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 1.28 0.53 1.01 0.00 0.00 61 S 7.83 4.83 0.00 3.88 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 62 D 8.45 4.34 0.00 2.59 2.53 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 63 T 7.85 4.72 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 1.20 0.00 0.00 64 E 8.12 5.50 0.00 2.08 1.99 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 2.39 2.38 0.00 65 F 8.83 5.78 0.00 2.94 3.33 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 66 K 9.74 5.48 0.00 2.29 2.17 0.00 1.29 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.99 7.81 67 M 9.02 4.64 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 68 K 7.64 4.29 0.00 1.45 1.39 0.00 1.09 0.00 0.00 1.46 0.00 0.00 2.65 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.21 7.81 69 K 8.10 4.05 0.00 1.78 1.77 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.22 0.00 0.00 3.73 0.00 0.00 0.00 0.00 1.51 1.65 7.81 70 K 7.91 3.81 0.00 1.69 1.82 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.55 7.81 71 N 8.54 4.21 0.00 2.70 2.51 0.00 0.00 6.62 7.71 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 72 V 7.69 3.40 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 0.88 0.00 0.00 0.72 0.00 0.00 73 A 7.92 3.90 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 74 L 8.39 4.07 0.00 1.61 1.39 0.97 0.69 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 75 V 7.18 3.40 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 0.79 0.00 0.00 0.46 0.00 0.00 76 M 8.07 4.21 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.42 0.00 77 G 7.59 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 78 I 6.94 4.38 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.93 0.00 0.00 79 K 8.13 4.18 0.00 1.85 1.75 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.54 7.81 80 L 8.39 3.87 0.00 1.61 1.69 0.97 0.95 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 81 N 8.42 4.07 0.00 2.81 2.73 0.00 0.00 6.84 7.22 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 82 T 7.85 3.81 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 83 L 8.10 3.81 0.00 1.70 1.83 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.13 4.34 0.00 2.90 2.91 0.00 0.00 7.12 7.92 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 85 V 7.53 3.72 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 0.99 0.00 0.00 0.92 0.00 0.00 86 N 8.00 3.98 0.00 1.80 1.86 0.00 0.00 7.12 6.75 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 87 L 7.85 3.97 0.00 1.78 1.54 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.45 4.31 0.00 2.06 2.30 0.00 2.84 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 89 D 8.11 4.37 0.00 2.70 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 90 L 8.02 4.30 0.00 1.49 1.58 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.11 3.73 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 92 F 8.24 5.04 0.00 3.41 2.94 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 93 E 10.12 4.40 0.00 2.09 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 2.37 2.35 0.00 94 Q 8.21 3.40 0.00 0.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.24 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 95 L 7.48 4.38 0.00 1.49 1.67 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.65 4.02 0.00 1.79 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 6.96 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 97 H 8.28 4.03 0.00 3.16 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.99 5.85 0.00 2.70 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 99 K 7.94 4.30 0.00 1.89 1.82 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.47 7.81 100 G 9.11 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 101 G 9.28 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 0.00 0.00 0.00 0.00 102 W 7.86 4.02 0.00 3.57 3.32 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 0.00 103 T 8.35 4.74 4.66 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 1.14 0.00 0.00 104 Q 8.23 5.27 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 105 W 8.88 5.47 0.00 2.09 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 0.00 106 K 8.94 5.10 0.00 2.24 2.00 0.00 1.42 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.54 7.81 107 R 8.76 4.60 0.00 2.07 2.07 0.00 3.23 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.50 0.00 108 S 9.27 4.18 0.00 3.94 3.82 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 0.00 109 G 8.17 3.91 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 0.00 0.00 0.00 110 F 7.75 4.06 0.00 3.32 3.50 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 0.00 111 T 8.56 4.33 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 1.35 0.00 0.00 112 R 6.33 2.73 0.00 1.04 1.50 0.00 2.88 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.66 0.00 113 N 7.71 5.17 0.00 2.79 2.81 0.00 0.00 5.90 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 0.00 114 S 7.04 4.83 0.00 4.06 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 0.00 115 V 8.10 4.33 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 0.90 0.00 0.00 0.46 0.00 0.00 116 F 8.69 4.48 0.00 3.06 2.92 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 0.00 0.00 0.00 117 E 8.49 4.27 0.00 1.74 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 0.00 2.18 2.18 0.00 118 D 7.12 4.19 0.00 2.68 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