NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.2857 8.1585 118.1629 55.1970 32.4158 175.7155 5 A 4.1131 8.3273 121.7404 53.0373 19.0966 176.4962 6 H 4.7830 8.7509 112.9444 55.4194 30.2244 173.3036 7 R 4.6645 7.3816 118.4035 53.8100 32.2347 176.3838 8 R 3.9614 8.5471 119.2530 57.0637 30.8876 176.8451 9 Y 4.3168 9.0728 124.5271 61.0456 38.8143 178.3532 10 C 4.0596 8.1850 111.8483 60.2005 29.8683 174.0662 11 K 4.3285 7.8100 118.4499 56.1746 32.1498 177.0643 12 R 4.1192 7.7729 119.1459 56.2380 30.5187 175.9370 13 T 4.6925 7.8956 109.4707 59.8430 71.8614 173.5304 14 I 3.9946 8.1798 123.1897 58.7345 37.9230 173.7211 15 P 4.4786 0.0000 0.0000 61.2992 32.1630 173.7363 16 P 4.1865 0.0000 0.0000 64.1782 31.5087 176.9869 17 G 3.9516 8.9648 109.9752 45.9126 0.0000 172.8297 18 Y 4.4862 7.7358 117.3716 56.4269 38.4918 175.5687 19 K 4.5222 10.3852 122.5913 55.7754 33.2790 178.5842 20 V 3.9020 8.6838 121.4641 65.7697 31.8000 177.4171 21 D 5.4703 8.0202 116.8334 51.9330 40.3765 177.4161 22 Q 3.8310 8.0913 119.2994 55.7285 27.0962 173.9039 23 V 3.8730 5.7313 119.2314 63.8350 33.5151 176.4265 24 F 5.0498 8.7176 115.8278 56.8029 39.6588 176.1762 25 G 4.5131 8.1910 107.3733 44.1318 0.0000 171.5731 26 P 4.7281 0.0000 0.0000 62.4430 31.8537 176.4722 27 R 4.5833 8.3907 119.3624 56.8342 31.2507 175.8385 28 T 4.8725 8.7248 112.5631 59.9110 71.9457 171.9883 29 K 4.7627 8.1498 119.3378 55.4708 35.6485 177.2944 30 G 3.7497 9.7416 113.9812 46.1125 0.0000 172.5969 31 K 4.6505 7.3374 114.9613 54.1238 36.4263 175.7934 32 E 3.9667 8.6898 119.0955 58.4389 29.6686 177.4949 33 G 3.9315 8.9048 110.7558 46.8608 0.0000 174.3653 34 N 5.1090 8.1525 115.2896 52.0022 38.1627 173.9152 35 F 4.4219 8.7633 122.4643 57.8673 39.7040 172.8516 36 G 3.3053 7.7752 114.0471 43.9613 0.0000 173.3441 37 D 5.3036 7.9567 127.6688 52.1620 42.8359 176.4717 38 D 4.3579 8.6185 118.2115 57.2789 40.7028 178.3339 39 K 4.1146 8.0724 119.5682 58.4525 32.5447 178.2745 40 M 4.2929 8.1937 119.0095 57.1892 31.3462 177.6496 41 N 4.2418 8.2486 118.2624 57.0405 38.8163 176.5952 42 E 3.9837 7.7645 118.0164 59.4232 29.9199 178.8389 43 E 4.2178 8.4790 117.4178 56.6774 30.1377 178.4915 44 G 4.0670 8.7085 108.2552 45.1052 0.0000 176.0661 45 I 3.9653 8.4488 117.2794 62.0296 37.7394 177.0527 46 K 3.9862 8.2107 123.2048 59.4215 32.2058 176.7106 47 D 4.6131 7.6952 119.4669 53.6622 41.5379 177.0509 48 G 3.8143 8.7434 113.5312 47.1858 0.0000 175.2956 49 R 4.0799 8.7133 120.8293 58.8121 29.8809 179.2249 50 V 3.6399 7.8045 118.5154 66.3462 31.4213 177.8724 51 T 3.8481 8.0044 113.3378 66.7240 68.4575 175.5983 52 A 4.2543 7.9098 121.9906 55.7769 18.3479 179.7046 53 M 4.0663 8.1753 116.9648 58.4371 31.7938 178.7997 54 L 3.9137 8.1220 118.9042 57.3601 41.5756 178.8423 55 N 4.4973 7.8690 115.1535 54.6983 38.6434 175.3954 56 L 4.3728 7.6365 118.7826 54.1137 42.9412 176.4861 57 V 3.7116 6.9376 119.9535 60.7773 32.0577 173.9191 58 P 3.7757 0.0000 0.0000 62.0932 31.3894 176.7901 59 S 4.1066 8.3391 116.6992 58.4356 64.4654 175.3594 60 S 4.3621 8.4876 117.3406 62.4781 62.5044 176.8290 61 H 4.2673 8.2124 117.3643 58.9704 28.5214 177.5561 62 A 4.1170 7.9638 122.3487 55.4353 16.9785 179.0747 63 C 3.9234 8.8428 118.1478 62.5162 31.2930 175.6766 64 L 3.9443 7.8819 120.9081 58.0527 41.8225 178.3219 65 F 4.8846 8.4563 115.2825 58.0445 39.5274 176.8112 66 G 4.1006 8.8696 106.4122 45.7864 0.0000 174.0452 67 S 4.6891 7.4133 116.0614 57.5746 64.6958 173.9074 68 R 4.1566 8.4289 122.5508 56.1816 30.8514 175.1411 69 V 4.6747 8.3812 126.4343 61.4103 33.7806 174.7897 70 T 4.5914 8.7683 124.5351 61.0079 71.4794 171.4744 71 P 4.8576 0.0000 0.0000 62.3420 32.9583 175.8261 72 K 4.5408 9.0073 123.2553 54.9922 35.5211 174.8735 73 L 4.9719 8.6110 127.3743 54.1741 43.0930 175.9994 74 Q 4.6163 9.1569 120.8310 53.4640 33.1552 174.2648 75 P 4.2377 0.0000 0.0000 65.6748 31.3039 177.5409 76 D 4.5725 8.3835 115.1006 53.8652 40.6920 176.8453 77 G 3.5944 6.9440 108.2185 44.9946 0.0000 171.1284 78 L 4.8771 8.1502 125.3685 54.1181 43.4945 176.8883 79 H 4.6752 9.4719 124.7732 54.3632 30.3664 173.7428 80 L 4.6663 8.4946 126.2834 53.0581 43.7430 175.0913 81 K 4.5080 8.4104 128.2887 54.7150 34.3368 174.5795 82 F 5.0572 8.8650 126.0803 55.9604 41.0156 174.9524 83 E 4.6446 9.5478 124.5260 54.7570 31.3743 174.6411 84 F 4.8827 8.8736 127.1190 56.4058 41.7913 174.5217 85 T 4.4889 7.7893 122.5932 61.9863 69.8025 173.7318 86 T 4.3323 8.5682 123.9876 62.6625 69.4574 174.5014 87 V 4.1033 8.3340 126.0579 61.1556 32.4885 174.9549 88 V 4.2758 8.2297 127.7106 60.2848 32.1495 173.4922 89 P 4.3404 0.0000 0.0000 62.4403 31.7282 177.5631 90 R 2.5100 8.4566 122.6937 58.7551 29.7953 176.5236 91 D 4.6416 7.6504 114.7624 53.7519 41.2814 175.6393 92 D 4.5337 8.5025 121.5747 53.3630 41.6615 175.3731 93 P 4.3955 0.0000 0.0000 65.4717 31.5581 177.4453 94 Q 4.3464 9.2664 115.6107 55.1100 29.0068 176.7738 95 F 4.2476 8.5361 124.4096 61.8272 39.3641 176.8922 96 D 4.2319 8.2475 117.3688 57.3416 40.7807 177.9717 97 N 4.1635 8.0162 116.8184 57.0204 38.8569 176.0073 98 Y 4.3684 7.6871 118.0637 61.3043 37.9295 179.0052 99 V 3.4420 7.9746 119.2841 65.8749 31.5669 178.0034 100 K 3.9059 8.1109 119.3202 59.3450 31.9851 178.8132 101 I 3.7058 8.2969 120.4480 64.6213 37.0228 178.0447 102 C 4.2397 8.6739 117.6899 64.2035 27.8060 176.4567 103 D 4.2029 8.0194 117.8109 56.0921 39.2921 178.6592 104 Q 4.0625 8.5259 120.1225 58.0828 29.0030 178.4457 105 C 4.0335 8.0847 116.8373 60.6765 29.3659 174.3534 106 V 3.6961 7.5693 119.8998 64.2008 31.0481 174.9899 107 D 4.6048 8.7600 127.7868 55.5999 39.0516 174.3431 108 G 4.0222 8.1826 105.1419 44.6935 0.0000 175.0379 109 V 3.9533 7.4776 113.0052 62.6160 31.9335 176.5582 110 G 4.0746 10.1623 112.1286 45.4956 0.0000 173.2137 111 T 4.7318 7.3209 108.0215 59.9188 71.8393 172.8559 112 R 4.9667 8.0803 120.3773 53.7362 34.6729 174.7290 113 P 4.5389 0.0000 0.0000 63.1850 32.4702 175.3799 114 K 3.7787 9.0270 111.8238 56.9392 29.9055 175.3954 115 D 4.2147 7.8622 125.1045 54.5786 38.9501 176.1135 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 M 8.16 4.29 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 5 A 8.33 4.11 1.20 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 0.00 0.00 0.00 6 H 8.75 4.78 0.00 3.13 3.33 0.00 5.87 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.38 4.66 0.00 2.02 1.81 0.00 3.14 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 8 R 8.55 3.96 0.00 1.89 1.92 0.00 3.19 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 9 Y 9.07 4.32 0.00 3.00 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 10 C 8.18 4.06 0.00 3.07 3.12 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 0.00 0.00 0.00 11 K 7.81 4.33 0.00 1.84 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.52 7.81 12 R 7.77 4.12 0.00 1.75 1.54 0.00 3.04 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 13 T 7.90 4.69 4.23 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 1.20 0.00 0.00 14 I 8.18 3.99 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 1.02 0.00 0.00 15 P 0.00 4.48 0.00 2.19 1.99 0.00 3.24 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 0.94 1.23 0.00 16 P 0.00 4.19 0.00 2.12 2.11 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 17 G 8.96 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.74 4.49 0.00 3.26 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 19 K 10.39 4.52 0.00 2.07 2.08 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.57 7.81 20 V 8.68 3.90 2.33 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 1.18 0.00 0.00 1.05 0.00 0.00 21 D 8.02 5.47 0.00 2.97 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 22 Q 8.09 3.83 0.00 2.37 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 23 V 5.73 3.87 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 -0.10 0.00 0.00 0.69 0.00 0.00 24 F 8.72 5.05 0.00 3.04 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 25 G 8.19 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 0.00 0.00 0.00 0.00 26 P 0.00 4.73 0.00 2.22 2.10 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 27 R 8.39 4.58 0.00 1.74 1.92 0.00 3.38 0.00 0.00 3.48 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 28 T 8.72 4.87 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 1.35 0.00 0.00 29 K 8.15 4.76 0.00 1.68 1.71 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.41 7.81 30 G 9.74 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 31 K 7.34 4.65 0.00 1.72 1.73 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 32 E 8.69 3.97 0.00 2.01 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 2.38 2.37 0.00 33 G 8.90 3.93 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 0.00 0.00 0.00 34 N 8.15 5.11 0.00 3.20 3.23 0.00 0.00 6.34 8.12 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 35 F 8.76 4.42 0.00 3.01 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 36 G 7.78 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 0.00 0.00 0.00 37 D 7.96 5.30 0.00 3.24 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 38 D 8.62 4.36 0.00 2.80 2.76 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 39 K 8.07 4.11 0.00 1.81 1.78 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 40 M 8.19 4.29 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.41 0.00 41 N 8.25 4.24 0.00 2.97 3.06 0.00 0.00 7.17 7.27 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 42 E 7.76 3.98 0.00 1.94 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 2.35 2.43 0.00 43 E 8.48 4.22 0.00 2.17 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 2.33 2.39 0.00 44 G 8.71 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 45 I 8.45 3.97 1.90 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 1.49 0.68 0.94 0.00 0.00 46 K 8.21 3.99 0.00 2.02 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.44 7.81 47 D 7.70 4.61 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.74 3.81 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 0.00 0.00 0.00 49 R 8.71 4.08 0.00 1.98 2.08 0.00 3.14 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 50 V 7.80 3.64 2.28 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 1.14 0.00 0.00 1.08 0.00 0.00 51 T 8.00 3.85 4.40 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 1.23 0.00 0.00 52 A 7.91 4.25 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 53 M 8.18 4.07 0.00 1.86 2.23 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 2.94 3.06 0.00 54 L 8.12 3.91 0.00 1.65 1.67 0.89 0.46 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 55 N 7.87 4.50 0.00 2.85 2.93 0.00 0.00 6.83 8.84 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 56 L 7.64 4.37 0.00 1.49 1.44 0.22 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 57 V 6.94 3.71 2.02 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 0.56 0.00 0.00 0.77 0.00 0.00 58 P 0.00 3.78 0.00 1.57 0.49 0.00 3.51 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.26 0.00 59 S 8.34 4.11 0.00 3.96 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 60 S 8.49 4.36 0.00 3.80 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 61 H 8.21 4.27 0.00 3.23 3.52 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.96 4.12 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 63 C 8.84 3.92 0.00 2.61 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 64 L 7.88 3.94 0.00 1.51 0.75 0.37 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.46 4.88 0.00 3.17 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 66 G 8.87 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.41 4.69 0.00 4.25 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 68 R 8.43 4.16 0.00 1.92 1.79 0.00 3.03 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 69 V 8.38 4.67 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 0.53 0.00 0.00 0.99 0.00 0.00 70 T 8.77 4.59 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 1.17 0.00 0.00 71 P 0.00 4.86 0.00 2.04 1.98 0.00 3.67 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 72 K 9.01 4.54 0.00 1.76 1.62 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.39 7.81 73 L 8.61 4.97 0.00 1.57 1.57 0.92 0.91 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 74 Q 9.16 4.62 0.00 2.21 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 75 P 0.00 4.24 0.00 2.04 2.13 0.00 3.66 0.00 0.00 3.70 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 76 D 8.38 4.57 0.00 2.80 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 77 G 6.94 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 4.88 0.00 1.64 1.58 0.91 0.91 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 79 H 9.47 4.68 0.00 3.18 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.49 4.67 0.00 1.56 1.43 0.77 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.41 4.51 0.00 1.85 1.69 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.41 7.81 82 F 8.87 5.06 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 83 E 9.55 4.64 0.00 1.96 1.89 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 2.25 2.23 0.00 84 F 8.87 4.88 0.00 3.04 2.88 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 85 T 7.79 4.49 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 1.18 0.00 0.00 86 T 8.57 4.33 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 1.21 0.00 0.00 87 V 8.33 4.10 2.10 0.00 0.00 0.00 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 0.91 0.00 0.00 88 V 8.23 4.28 2.29 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 1.20 0.00 0.00 0.80 0.00 0.00 89 P 0.00 4.34 0.00 2.22 1.96 0.00 3.77 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 90 R 8.46 2.51 0.00 1.36 1.68 0.00 3.06 0.00 0.00 3.08 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.78 0.00 91 D 7.65 4.64 0.00 2.66 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 92 D 8.50 4.53 0.00 2.83 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 93 P 0.00 4.40 0.00 2.10 2.14 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 94 Q 9.27 4.35 0.00 2.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 95 F 8.54 4.25 0.00 3.25 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 96 D 8.25 4.23 0.00 2.76 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 97 N 8.02 4.16 0.00 2.63 2.58 0.00 0.00 7.10 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 98 Y 7.69 4.37 0.00 3.15 2.86 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 99 V 7.97 3.44 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 0.95 0.00 0.00 -0.03 0.00 0.00 100 K 8.11 3.91 0.00 1.84 1.94 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.46 7.81 101 I 8.30 3.71 2.15 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 1.64 0.39 1.10 0.00 0.00 102 C 8.67 4.24 0.00 3.14 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 0.00 103 D 8.02 4.20 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.53 4.06 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 105 C 8.08 4.03 0.00 1.79 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 0.00 0.00 0.00 0.00 106 V 7.57 3.70 2.19 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 0.80 0.00 0.00 1.15 0.00 0.00 107 D 8.76 4.60 0.00 2.82 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 0.00 108 G 8.18 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 0.00 0.00 0.00 109 V 7.48 3.95 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 0.75 0.00 0.00 0.94 0.00 0.00 110 G 10.16 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 0.00 0.00 0.00 111 T 7.32 4.73 4.22 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 1.19 0.00 0.00 112 R 8.08 4.97 0.00 1.75 1.80 0.00 3.19 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 113 P 0.00 4.54 0.00 2.16 2.13 0.00 3.87 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 114 K 9.03 3.78 0.00 2.05 1.99 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.40 7.81 115 D 7.86 4.21 0.00 2.75 2.60 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 0.00 0.00 0.00