NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1511 8.0249 121.4504 60.7062 38.5723 175.1951 4 K 3.9518 8.4913 124.7011 55.3149 32.6264 173.1591 5 E 4.2482 9.3599 125.6422 55.3123 31.3430 175.8533 6 L 4.4850 8.3658 125.9576 55.1437 42.8267 176.5040 7 H 4.3724 9.2840 120.8380 55.8813 29.8883 174.5397 8 V 4.4983 8.4536 123.7980 61.7464 32.6526 175.0399 9 K 4.5415 9.4150 127.9030 54.9838 35.0709 175.2079 10 T 4.8184 8.4848 122.2077 62.1336 69.7228 174.6752 11 V 4.4067 8.1083 119.3262 59.3545 35.6145 175.3325 12 K 4.5748 8.9410 121.6063 54.5267 33.7031 176.8262 13 R 4.3860 8.6905 120.4003 58.5941 30.5588 177.2867 14 G 3.9517 9.3044 111.5911 44.9282 0.0000 172.9756 15 E 4.5046 8.1673 120.9278 56.0401 31.1348 174.9898 16 N 5.4227 8.4728 120.4007 51.9790 40.7090 175.0853 17 V 4.4672 8.7054 121.1260 60.4143 35.2838 174.0153 18 T 4.9248 8.3932 119.1966 62.0067 71.7362 172.9257 19 M 4.5816 8.9255 126.2035 53.5683 34.3076 174.9195 20 E 5.1419 8.9452 123.5588 55.8412 31.3902 176.4877 21 C 5.0306 9.5403 122.9095 55.3564 47.5000 173.0161 22 S 5.0190 8.8069 120.7106 57.9635 63.2484 173.8927 23 M 4.2542 9.0650 126.7192 57.2970 32.3619 178.7225 24 S 4.0938 7.8771 113.6288 61.0203 62.7770 175.6645 25 K 4.4120 7.7509 116.1833 55.2175 32.4295 176.3743 26 V 4.0767 7.3426 119.2338 63.0859 31.9199 176.1391 27 T 4.0167 8.8372 123.9405 65.6718 68.9374 174.6769 28 N 4.7663 9.0378 120.7233 51.3108 41.4390 174.8523 29 K 3.5766 8.4772 125.8078 59.4111 32.2819 179.0119 30 D 4.5149 7.7347 117.3524 57.2357 41.0063 176.9956 31 N 4.6670 7.9621 114.8070 53.0882 38.8987 173.6136 32 L 5.1337 7.5798 121.6952 53.5729 44.2773 175.0481 33 A 5.4696 8.8081 125.1340 51.1696 23.3200 174.9721 34 W 5.4778 9.5198 120.1218 55.7975 31.5156 175.1631 35 Y 5.1740 10.1684 121.7722 56.2627 41.0142 174.5273 36 R 4.2880 9.3554 123.9702 54.2548 33.1061 174.1503 37 Q 4.6700 8.5021 127.3105 54.1319 31.6256 174.6982 38 S 4.5615 8.3951 123.0965 57.7364 64.4738 173.9020 39 F 4.1318 8.8980 124.8885 60.2128 39.3134 175.6740 40 G 3.5171 8.0221 114.6434 45.4581 0.0000 172.9687 41 K 4.5851 7.4084 118.1823 54.0205 34.5423 176.6957 42 V 3.8548 7.9670 113.9463 60.6633 32.1613 174.7636 43 P 4.8017 0.0000 0.0000 63.0685 32.2834 175.8200 44 Q 4.7737 8.9565 120.0064 53.9759 33.0707 174.1539 45 Y 3.3911 9.0452 124.1399 58.5744 38.8012 175.2792 46 F 4.7632 8.7610 127.5054 59.3031 42.6961 175.3166 47 V 4.3810 7.1235 114.2997 60.5416 33.9330 172.3333 48 R 5.5042 8.7407 120.3418 54.0619 33.0640 174.2225 49 Y 4.9285 8.8598 121.7402 58.6662 39.5851 175.0732 50 Y 4.9450 8.2552 126.8326 55.8057 42.8370 173.8323 51 S 4.0803 8.5714 121.6567 59.3763 62.9101 173.3805 52 S 4.5081 7.8768 118.2288 57.5771 64.7374 176.2477 53 N 4.4538 9.0652 118.2679 56.5329 38.3164 177.0987 54 S 4.1049 7.9065 111.2914 59.4202 63.4969 175.2569 55 G 3.9402 10.0274 108.8158 44.5151 0.0000 171.5386 56 Y 5.4466 6.9773 115.6267 56.0038 41.8345 174.3246 57 K 4.5149 8.9538 120.5973 55.0652 35.6288 175.4708 58 F 4.5155 9.0720 125.8819 56.7950 40.1527 175.2125 59 A 3.9912 8.4111 123.4428 51.7228 19.4391 177.0446 60 E 4.1088 8.7124 121.3343 57.7634 30.2151 177.3535 61 G 4.0019 9.1198 114.2777 45.0136 0.0000 172.8497 62 F 4.5770 7.7100 122.0070 56.8610 40.1000 175.6143 63 K 3.9151 7.2412 126.6784 54.9982 33.7231 175.1916 64 D 4.0932 7.0734 122.9839 53.2467 41.7033 175.8919 65 S 4.3396 8.3646 121.0975 59.7020 63.6014 175.6248 66 R 4.0647 8.0568 121.1113 58.4198 30.9447 176.1174 67 F 5.1752 8.1749 118.7924 56.4198 40.1874 175.4765 68 S 4.9940 9.0922 117.5598 57.5317 66.9965 172.3142 69 M 4.9083 7.9011 117.2177 53.8864 36.0931 175.5467 70 T 4.6621 8.8046 118.6414 61.9784 70.8937 173.5289 71 V 5.2116 8.4932 126.3814 60.0592 33.6242 175.0102 72 N 4.7921 8.7975 122.6738 52.4100 39.1023 173.9100 73 D 4.5315 8.9385 115.3282 56.7972 41.9344 177.5883 74 Q 4.6086 8.9289 117.6958 56.1807 31.5732 175.7906 75 K 4.9530 8.3595 117.1542 54.1381 35.1765 175.9667 76 F 5.5609 8.9060 124.2859 56.9606 38.3084 173.4493 77 D 5.1959 8.8974 121.7028 52.9436 43.7863 176.5326 78 L 4.5114 8.6128 124.7440 53.4708 43.8921 174.6791 79 N 5.3236 8.8451 123.9112 51.4652 41.6070 173.5859 80 I 4.4119 8.5873 123.7729 59.3734 40.2807 174.5239 81 I 4.4235 8.3385 128.2726 60.3938 38.0750 175.3651 82 G 3.7188 8.5524 117.0567 44.5205 0.0000 172.5845 83 A 4.3353 8.9198 124.4047 52.8852 19.8048 177.4569 84 R 4.8174 9.5250 119.1332 53.9111 34.0845 176.5306 85 E 2.5400 8.2937 120.1779 59.4275 29.4426 179.1024 86 D 4.5076 7.7285 115.7495 56.0001 41.1299 177.0871 87 D 4.7440 8.7330 119.6731 56.5402 41.0986 177.1241 88 G 4.1054 7.8480 107.4593 44.8967 0.0000 174.0817 89 G 3.8672 7.6093 110.2819 44.9855 0.0000 170.2237 90 E 5.1226 8.1719 119.5558 54.6575 32.2128 175.0470 91 Y 4.9052 9.1379 121.7722 56.1262 41.1871 174.6663 92 F 5.5433 9.3798 122.4933 55.8930 42.9657 173.1102 93 C 4.8257 9.2390 124.3011 54.8964 45.0920 172.7159 94 G 4.3649 9.4747 112.8930 44.5573 0.0000 170.3577 95 E 5.1378 8.4484 121.1049 53.6925 32.2606 175.3189 96 V 3.8861 8.4098 128.0627 63.1135 32.3519 175.4529 97 E 4.4300 9.5753 128.4598 54.8372 32.3888 178.5245 98 G 3.8834 8.7915 117.6964 46.7211 0.0000 172.8659 99 I 4.2391 8.8810 114.6122 60.6273 38.5829 175.6357 100 I 4.5860 7.4248 122.0820 59.9826 41.5708 173.8687 101 I 4.3037 8.1653 126.4994 59.8816 39.4729 174.7241 102 K 4.3540 8.2668 127.8273 54.5173 34.5741 175.1756 103 F 5.1466 8.6085 124.5936 57.1617 39.3733 175.7550 104 T 4.6396 8.9888 113.3986 62.2482 70.5985 174.1387 105 S 4.6964 7.7982 115.0674 58.0689 66.2029 173.8168 106 G 4.7690 8.2725 105.6331 46.2148 0.0000 172.1686 107 T 5.3062 9.1066 116.9978 61.6035 72.5128 173.5585 108 R 4.7144 9.4686 127.3587 55.1435 31.2345 174.4991 109 L 4.9131 9.1178 130.6249 54.0053 43.5308 175.3960 110 Q 5.1050 9.2945 124.7833 54.0499 33.2490 176.0166 111 F 4.4369 8.7177 118.0220 57.8046 39.5493 175.6372 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 3 I 8.02 4.15 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.06 0.90 0.00 0.00 4 K 8.49 3.95 0.00 1.85 1.78 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.46 7.81 5 E 9.36 4.25 0.00 1.90 1.82 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 2.28 2.39 0.00 6 L 8.37 4.48 0.00 1.65 1.71 1.14 1.37 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 7 H 9.28 4.37 0.00 3.23 3.30 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.45 4.50 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 0.80 0.00 0.00 0.96 0.00 0.00 9 K 9.42 4.54 0.00 1.60 1.57 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.36 7.81 10 T 8.48 4.82 4.17 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 1.18 0.00 0.00 11 V 8.11 4.41 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 0.53 0.00 0.00 0.17 0.00 0.00 12 K 8.94 4.57 0.00 1.90 1.74 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.37 7.81 13 R 8.69 4.39 0.00 1.84 1.93 0.00 3.15 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 14 G 9.30 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 15 E 8.17 4.50 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 2.23 2.24 0.00 16 N 8.47 5.42 0.00 2.58 2.64 0.00 0.00 6.69 7.68 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 17 V 8.71 4.47 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 0.61 0.00 0.00 0.75 0.00 0.00 18 T 8.39 4.92 4.17 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 1.21 0.00 0.00 19 M 8.93 4.58 0.00 1.64 1.28 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 20 E 8.95 5.14 0.00 1.95 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 2.45 2.33 0.00 21 C 9.54 5.03 0.00 3.12 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.81 5.02 0.00 3.93 3.77 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 23 M 9.07 4.25 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.79 0.00 24 S 7.88 4.09 0.00 4.01 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 25 K 7.75 4.41 0.00 1.72 1.82 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.32 7.81 26 V 7.34 4.08 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 0.87 0.00 0.00 27 T 8.84 4.02 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 1.16 0.00 0.00 28 N 9.04 4.77 0.00 2.53 2.52 0.00 0.00 7.29 6.22 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 29 K 8.48 3.58 0.00 1.18 0.74 0.00 1.47 0.00 0.00 1.31 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.05 1.14 7.81 30 D 7.73 4.51 0.00 2.77 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 31 N 7.96 4.67 0.00 2.81 2.93 0.00 0.00 6.38 8.08 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 32 L 7.58 5.13 0.00 1.50 1.27 0.69 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.81 5.47 1.49 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 0.00 0.00 34 W 9.52 5.48 0.00 3.46 3.43 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 0.00 35 Y 10.17 5.17 0.00 3.28 3.15 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 36 R 9.36 4.29 0.00 0.73 1.04 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 37 Q 8.50 4.67 0.00 2.08 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 38 S 8.40 4.56 0.00 3.78 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 39 F 8.90 4.13 0.00 3.00 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 40 G 8.02 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.41 4.59 0.00 1.79 1.69 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.50 7.81 42 V 7.97 3.85 2.12 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 0.71 0.00 0.00 0.96 0.00 0.00 43 P 0.00 4.80 0.00 2.14 2.26 0.00 3.69 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 2.11 2.28 0.00 44 Q 8.96 4.77 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 45 Y 9.05 3.39 0.00 2.57 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 46 F 8.76 4.76 0.00 2.99 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 47 V 7.12 4.38 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 -0.11 0.00 0.00 48 R 8.74 5.50 0.00 2.17 2.24 0.00 2.87 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.72 0.00 49 Y 8.86 4.93 0.00 2.92 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 50 Y 8.26 4.95 0.00 2.91 2.64 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 0.00 0.00 0.00 0.00 51 S 8.57 4.08 0.00 3.90 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 52 S 7.88 4.51 0.00 3.97 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 53 N 9.07 4.45 0.00 2.71 2.93 0.00 0.00 6.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.91 4.10 0.00 3.41 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 55 G 10.03 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 56 Y 6.98 5.45 0.00 2.93 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 57 K 8.95 4.51 0.00 1.47 1.48 0.00 0.77 0.00 0.00 0.98 0.00 0.00 2.65 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.21 1.24 7.81 58 F 9.07 4.52 0.00 3.03 2.95 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 59 A 8.41 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.71 4.11 0.00 2.00 1.93 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 2.33 2.34 0.00 61 G 9.12 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 62 F 7.71 4.58 0.00 3.01 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 63 K 7.24 3.92 0.00 1.50 1.50 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.28 7.81 64 D 7.07 4.09 0.00 2.01 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 0.00 0.00 0.00 0.00 65 S 8.36 4.34 0.00 3.98 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 66 R 8.06 4.06 0.00 1.81 1.96 0.00 3.27 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 67 F 8.17 5.18 0.00 2.94 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 68 S 9.09 4.99 0.00 3.97 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 69 M 7.90 4.91 0.00 1.28 0.57 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.91 0.00 70 T 8.80 4.66 4.25 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 1.25 0.00 0.00 71 V 8.49 5.21 2.43 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 1.05 0.00 0.00 1.27 0.00 0.00 72 N 8.80 4.79 0.00 2.87 2.85 0.00 0.00 6.98 7.76 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 73 D 8.94 4.53 0.00 2.69 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 74 Q 8.93 4.61 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 75 K 8.36 4.95 0.00 1.85 1.89 0.00 1.82 0.00 0.00 2.00 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.41 7.81 76 F 8.91 5.56 0.00 2.98 3.18 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 0.00 77 D 8.90 5.20 0.00 2.65 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 78 L 8.61 4.51 0.00 0.34 0.34 0.96 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.85 5.32 0.00 2.53 2.56 0.00 0.00 6.41 6.81 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 80 I 8.59 4.41 1.54 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.36 0.58 0.00 0.00 81 I 8.34 4.42 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.78 0.86 0.00 0.00 82 G 8.55 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 83 A 8.92 4.34 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 84 R 9.53 4.82 0.00 1.76 1.68 0.00 3.17 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 85 E 8.29 2.54 0.00 1.71 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.96 0.00 86 D 7.73 4.51 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 87 D 8.73 4.74 0.00 3.00 3.02 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 88 G 7.85 4.11 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 0.00 0.00 0.00 89 G 7.61 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 90 E 8.17 5.12 0.00 1.65 1.54 0.00 0.00 0.00 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 2.28 0.00 91 Y 9.14 4.91 0.00 2.87 3.02 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 92 F 9.38 5.54 0.00 2.71 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.24 4.83 0.00 1.23 2.40 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 94 G 9.47 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 0.00 0.00 0.00 0.00 95 E 8.45 5.14 0.00 1.90 1.80 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 2.07 2.08 0.00 96 V 8.41 3.89 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 0.73 0.00 0.00 0.88 0.00 0.00 97 E 9.58 4.43 0.00 1.83 1.76 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 2.13 2.11 0.00 98 G 8.79 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 99 I 8.88 4.24 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.89 0.00 0.00 100 I 7.42 4.59 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.16 0.81 0.00 0.00 101 I 8.17 4.30 1.55 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.37 0.46 0.00 0.00 102 K 8.27 4.35 0.00 1.73 1.56 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 1.23 7.81 103 F 8.61 5.15 0.00 2.84 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 0.00 104 T 8.99 4.64 4.25 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 1.17 0.00 0.00 105 S 7.80 4.70 0.00 4.02 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 0.00 106 G 8.27 4.77 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 0.00 0.00 0.00 107 T 9.11 5.31 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 1.26 0.00 0.00 108 R 9.47 4.71 0.00 1.93 1.89 0.00 3.27 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 109 L 9.12 4.91 0.00 1.80 1.83 0.80 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 9.29 5.10 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.51 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 111 F 8.72 4.44 0.00 2.97 2.95 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