NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4092 8.4045 118.1935 54.8770 32.7834 174.5322 2 E 3.9783 8.6743 116.5529 56.9376 30.6244 170.2872 3 L 5.1236 8.7520 124.5916 52.4688 45.0839 175.2357 4 T 4.9377 9.3091 117.9269 60.5249 71.1147 172.0831 5 T 5.2496 8.4724 110.3840 60.2283 71.8411 173.3280 6 R 4.7396 8.8466 121.5118 55.2744 34.3391 173.6008 7 T 5.0374 8.3442 120.4315 61.6323 70.7219 173.9443 8 L 4.3339 9.1451 128.3961 53.4146 42.6180 175.5629 9 P 4.5424 0.0000 0.0000 62.3337 32.0091 176.1829 10 A 4.0194 8.5603 122.2114 54.1691 18.3684 177.6976 11 R 4.3280 7.6524 116.2912 54.7775 29.8317 175.6349 12 K 4.4077 8.4116 125.2229 56.4513 34.0061 176.1614 13 H 5.2461 9.6927 121.4483 54.8587 30.1811 173.9955 14 I 5.0083 9.3946 125.3720 59.5621 39.6359 174.7286 15 A 5.2582 8.9124 128.3136 50.2730 21.6154 175.5090 16 L 5.0639 9.0831 122.3725 52.8720 45.0267 175.9768 17 V 4.7423 8.8773 123.1341 61.3122 35.1691 173.6576 18 A 5.4158 8.4023 126.8032 50.9646 22.5188 175.6246 19 H 4.7308 9.4064 118.0712 55.4754 30.2856 176.3461 20 D 4.4215 9.1541 121.3111 58.3921 40.6468 178.9740 21 H 4.6476 8.1693 111.2538 57.0374 28.8389 176.0532 22 C 4.8528 8.6910 117.1970 59.1929 29.4363 175.7949 23 K 4.0991 8.0486 123.2198 60.2628 31.6513 179.6013 24 Q 4.0891 8.1426 120.3370 60.4929 28.1103 180.4820 25 M 4.3849 8.1131 120.3774 58.2537 32.0498 178.4971 26 L 4.2024 8.2552 120.4693 58.3631 42.1630 178.7012 27 M 4.1118 8.4858 118.9329 58.7393 31.9634 178.7856 28 S 4.1648 8.2863 114.9444 61.4171 62.8416 176.5357 29 W 4.2201 8.2578 129.6373 60.6129 30.7564 177.8137 30 V 3.5769 8.4804 118.3471 66.1893 30.8195 177.8879 31 E 3.9649 8.2882 117.2098 59.2266 29.3345 178.9203 32 R 4.0216 7.8985 117.4002 58.0946 30.2611 176.4548 33 H 4.6913 7.3924 114.4165 55.0769 30.3854 174.7930 34 Q 3.8691 8.2825 122.2628 59.2703 28.3444 176.8461 35 P 4.2259 0.0000 0.0000 65.6570 31.5899 178.0882 36 L 4.1097 7.7108 118.1979 58.2823 42.1775 178.6943 37 L 4.1220 8.0659 119.1039 57.9481 41.3364 179.2633 38 E 4.0568 8.5764 117.5524 58.7101 29.4430 178.3932 39 Q 4.2798 7.9417 116.4565 56.4510 29.3222 174.2434 40 H 5.0105 8.1460 116.9173 53.7506 32.7888 172.8628 41 V 4.1933 8.4826 119.0924 61.9363 32.8700 174.5819 42 L 5.2927 8.3687 127.4184 53.3705 44.2528 175.0157 43 Y 5.1912 9.3302 120.1122 56.6284 42.4119 174.1805 44 A 5.3427 8.6902 121.4359 52.1405 23.5349 175.8096 45 T 3.9593 8.7433 109.4215 61.8411 70.3792 175.4635 46 G 3.5918 8.7982 106.0328 48.6353 0.0000 176.3383 47 T 3.7990 8.0882 115.2620 66.2881 69.0001 176.3179 48 T 4.0063 8.1083 116.9022 66.8670 68.5124 176.4730 49 G 3.6369 8.8029 107.6675 48.0308 0.0000 175.5060 50 N 4.3664 8.1349 119.4463 55.9290 38.4528 177.5859 51 L 3.9957 8.1432 120.4025 57.6915 41.5929 179.8414 52 I 3.8021 7.6665 119.7414 64.2865 37.1878 178.5493 53 S 4.2187 7.9906 115.1142 61.6998 62.6304 176.7272 54 R 4.0180 8.0907 120.7138 58.5529 29.8551 178.3530 55 A 4.3454 7.6333 119.5662 53.3825 18.9859 177.8288 56 T 4.3548 7.8052 104.4965 60.2960 70.0435 175.1557 57 G 3.8924 8.6556 110.3533 46.1703 0.0000 173.9810 58 M 4.1827 7.4850 118.9604 54.6926 32.5893 175.6547 59 N 4.5485 8.4577 120.0486 52.8128 39.1564 174.4113 60 V 4.3917 8.0234 125.5069 61.0860 34.5097 175.2185 61 N 4.5977 8.8745 125.9806 52.5844 38.2251 173.4575 62 A 4.5983 8.3138 125.4639 52.1460 19.4152 176.8057 63 M 4.6047 9.0614 123.1168 53.7260 35.5817 175.6470 64 L 4.2763 8.8087 119.1810 54.9520 43.2710 177.1904 65 S 4.4656 8.6572 115.3830 58.4875 63.4573 175.0530 66 G 3.7685 9.0761 114.4698 48.5037 0.0000 174.1997 67 P 4.3212 0.0000 0.0000 64.5642 31.4314 177.0823 68 M 4.3469 7.7073 115.8253 54.8522 32.3020 176.1532 69 G 4.0005 8.2186 107.2373 45.4132 0.0000 176.5650 70 G 3.6866 8.8654 108.3220 48.1062 0.0000 175.4838 71 D 4.2569 8.0155 120.7318 57.3072 40.8111 178.8836 72 Q 3.9903 7.9694 117.9007 58.7757 28.7963 178.5119 73 Q 3.9457 8.1409 119.3835 58.8650 28.7176 178.9186 74 V 3.6047 7.9672 119.4906 65.7735 31.5696 178.2636 75 G 3.5730 8.3064 105.6967 47.7015 0.0000 175.4807 76 A 3.8959 8.2551 123.5736 54.9605 18.4310 179.7257 77 L 3.7935 7.8346 117.3643 57.8956 41.5522 179.9597 78 I 3.5949 7.5847 120.1680 64.1345 36.8004 178.5829 79 S 2.7900 7.4443 114.1858 60.6761 62.9068 175.5798 80 E 3.9530 7.6134 119.3493 55.7988 29.3229 177.2021 81 G 3.6152 7.0231 107.0522 46.2048 0.0000 174.7867 82 K 4.0821 8.0395 118.5158 55.9453 32.7555 176.7029 83 I 4.3427 7.2723 119.6305 59.4912 39.5036 174.7239 84 D 4.8048 8.9403 124.7532 54.8876 42.5146 177.0874 85 V 4.7046 7.6138 117.4499 60.9661 35.5761 173.5581 86 L 4.8627 9.0615 129.0384 53.4790 44.8400 175.1102 87 I 4.5629 8.7704 128.5842 59.7690 38.8760 174.7518 88 F 5.3894 9.4813 131.2159 56.5872 41.7252 173.9995 89 F 5.3325 9.4956 127.5230 56.1983 38.7655 175.3676 90 W 4.5997 8.0093 120.5236 54.6116 30.3963 175.9347 91 D 4.4190 8.9281 121.2974 52.9331 40.1757 173.9632 92 P 4.4586 0.0000 0.0000 62.9544 31.4632 176.3458 93 L 4.7876 8.4576 116.8701 54.3835 43.0019 175.9031 94 N 4.9265 7.9648 115.4120 51.2239 42.3789 174.1506 95 A 4.1464 8.8003 126.6909 52.1397 19.0102 176.7678 96 V 4.4871 8.2151 122.5275 58.7971 33.6976 175.0475 97 P 4.2781 0.0000 0.0000 65.6281 31.5036 177.1855 98 Q 4.4796 7.8164 117.0402 56.2907 30.1188 177.3594 99 D 4.3673 7.8114 122.8111 58.0884 41.2525 175.2988 100 P 4.2753 0.0000 0.0000 65.8792 31.3879 178.1991 101 D 4.3675 8.0637 118.2623 56.9763 40.7702 178.7269 102 V 3.7716 7.7294 118.8095 66.1286 31.5136 178.3674 103 K 3.8591 8.0660 118.0136 59.2014 31.8197 179.2971 104 A 3.9583 8.4082 121.6636 54.9014 18.2777 179.4766 105 L 3.8807 8.0933 118.8687 58.4138 42.2338 179.2668 106 L 4.0803 7.9330 118.9436 57.6176 41.5060 179.4019 107 R 3.8546 8.2504 119.0133 59.5846 30.0242 178.6728 108 L 4.1094 8.0601 118.5063 57.7046 41.4676 179.3488 109 A 4.1315 8.1975 120.8739 55.2381 18.3529 179.9786 110 T 3.8854 7.9849 114.7548 66.8070 68.4120 177.5745 111 V 3.4711 7.6283 119.1167 64.2334 31.5115 176.9043 112 W 4.3473 8.2520 117.9318 55.6184 29.3752 175.6952 113 N 4.1370 7.5274 116.2558 54.8294 37.0861 173.0579 114 I 4.6883 7.2937 110.5891 58.2424 41.1919 175.4549 115 P 4.4602 0.0000 0.0000 63.0677 32.1697 175.4974 116 V 5.0478 8.5245 123.4433 61.0172 34.8288 174.2718 117 A 4.9257 9.2814 128.8309 50.4705 21.7208 176.4666 118 T 5.3206 9.1075 110.6194 60.7389 70.1094 173.7774 119 N 4.2073 7.4096 119.3561 50.2922 41.5635 175.2606 120 V 3.3644 7.5879 119.4145 65.9942 31.6586 177.4944 121 A 4.1286 7.9381 119.9735 55.9027 18.1382 179.6766 122 T 3.8395 8.6559 114.1853 66.5592 68.5058 176.9980 123 A 4.0229 8.0251 122.8658 55.1152 18.3113 179.5038 124 D 4.5606 8.9088 117.8577 57.8138 40.7933 178.9423 125 F 4.0192 8.3596 116.7945 60.5281 39.1407 177.7225 126 I 4.0085 8.0299 119.4463 64.6124 36.8768 178.4204 127 I 2.7602 7.7189 117.5876 63.0296 37.8105 176.8444 128 Q 4.2485 7.6897 116.7377 55.0962 29.5323 175.8690 129 S 4.3650 7.4946 116.7632 57.1065 63.1258 173.2735 130 P 4.2897 0.0000 0.0000 65.7239 31.2619 176.7137 131 H 5.4060 7.9726 113.5791 54.6707 28.9489 176.2261 132 F 3.9642 8.2784 126.3920 61.5042 39.1810 176.2911 133 N 5.0756 8.2666 114.8108 51.8857 37.6216 176.3034 134 D 5.2450 7.9971 118.6809 52.8719 45.0501 175.1374 135 A 4.5009 8.4308 121.8063 52.0826 19.3945 177.3261 136 V 4.3780 8.6794 121.3825 61.1301 35.0323 174.1268 137 D 5.1961 8.8477 128.1373 53.9766 41.7402 175.7019 138 I 4.7512 9.0754 116.2889 59.0051 41.5674 174.0885 139 L 5.1401 8.4880 123.4066 53.8781 42.6458 176.1435 140 I 4.8859 8.9391 117.1469 57.9679 41.4294 173.0630 141 P 4.5333 0.0000 0.0000 63.2815 32.1671 176.0488 142 D 4.6588 9.2286 123.2946 53.2956 40.6086 175.9870 143 Y 4.2514 8.9064 126.2512 60.6293 38.9784 176.8531 144 Q 3.9363 8.5132 119.7273 59.9674 28.9869 179.1571 145 R 3.9506 8.2730 118.0756 59.0225 29.8465 178.4526 146 Y 3.9278 7.8169 118.8639 60.7435 39.1558 177.7568 147 L 3.6883 8.2630 121.2038 57.7550 41.9609 178.5893 148 A 3.9135 7.8746 120.7741 55.4131 18.1301 179.3332 149 D 4.3042 7.7354 115.4680 56.8052 40.8827 178.5999 150 R 4.0546 7.4246 118.0465 57.7094 30.1958 176.7259 151 L 4.5752 7.1492 117.5058 54.5780 42.0521 176.7831 152 K 4.1546 7.7858 123.9336 56.6453 32.8272 176.1900 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 8.40 4.41 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 2 E 8.67 3.98 0.00 1.76 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 2.31 1.98 0.00 3 L 8.75 5.12 0.00 1.49 1.58 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.31 4.94 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 1.33 0.00 0.00 5 T 8.47 5.25 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 6 R 8.85 4.74 0.00 1.92 1.79 0.00 3.00 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 7 T 8.34 5.04 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 8 L 9.15 4.33 0.00 1.53 1.56 0.92 1.04 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 9 P 0.00 4.54 0.00 2.28 2.07 0.00 3.89 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 2.09 2.03 0.00 10 A 8.56 4.02 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 11 R 7.65 4.33 0.00 1.75 1.85 0.00 3.19 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 12 K 8.41 4.41 0.00 1.50 1.58 0.00 1.53 0.00 0.00 1.83 0.00 0.00 2.51 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.13 0.55 7.81 13 H 9.69 5.25 0.00 3.14 3.25 0.00 5.78 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.39 5.01 2.04 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 1.08 0.00 0.00 15 A 8.91 5.26 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 16 L 9.08 5.06 0.00 1.56 1.54 1.03 0.63 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 17 V 8.88 4.74 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 0.70 0.00 0.00 0.70 0.00 0.00 18 A 8.40 5.42 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 19 H 9.41 4.73 0.00 3.25 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.15 4.42 0.00 2.62 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 21 H 8.17 4.65 0.00 3.36 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.69 4.85 0.00 3.24 3.08 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 23 K 8.05 4.10 0.00 1.97 1.93 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.74 7.81 24 Q 8.14 4.09 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 25 M 8.11 4.38 0.00 2.10 2.42 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 26 L 8.26 4.20 0.00 1.79 1.90 0.53 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 27 M 8.49 4.11 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 3.09 0.00 28 S 8.29 4.16 0.00 4.13 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 29 W 8.26 4.22 0.00 3.62 3.66 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 30 V 8.48 3.58 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 0.99 0.00 0.00 1.20 0.00 0.00 31 E 8.29 3.96 0.00 2.08 1.98 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 2.34 2.44 0.00 32 R 7.90 4.02 0.00 1.82 1.73 0.00 3.00 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.53 0.00 33 H 7.39 4.69 0.00 2.50 2.78 0.00 5.70 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.28 3.87 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.08 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 35 P 0.00 4.23 0.00 2.02 2.09 0.00 3.58 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 1.98 2.12 0.00 36 L 7.71 4.11 0.00 1.65 1.59 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.07 4.12 0.00 1.82 1.75 0.76 1.26 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 38 E 8.58 4.06 0.00 2.01 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 0.00 2.34 2.58 0.00 39 Q 7.94 4.28 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.65 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 40 H 8.15 5.01 0.00 3.09 3.53 0.00 5.64 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 41 V 8.48 4.19 2.20 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 0.96 0.00 0.00 0.86 0.00 0.00 42 L 8.37 5.29 0.00 1.72 1.57 0.95 0.94 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 43 Y 9.33 5.19 0.00 2.94 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 44 A 8.69 5.34 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 45 T 8.74 3.96 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 1.13 0.00 0.00 46 G 8.80 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 47 T 8.09 3.80 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 1.23 0.00 0.00 48 T 8.11 4.01 4.38 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 1.29 0.00 0.00 49 G 8.80 3.64 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 0.00 0.00 0.00 50 N 8.13 4.37 0.00 2.78 2.88 0.00 0.00 7.10 6.85 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 51 L 8.14 4.00 0.00 1.71 1.74 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.67 3.80 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.76 0.93 0.00 0.00 53 S 7.99 4.22 0.00 4.12 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 54 R 8.09 4.02 0.00 1.83 2.04 0.00 3.16 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 55 A 7.63 4.35 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 56 T 7.81 4.35 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 1.21 0.00 0.00 57 G 8.66 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 0.00 0.00 0.00 58 M 7.49 4.18 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.46 0.00 59 N 8.46 4.55 0.00 2.64 2.69 0.00 0.00 6.72 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 60 V 8.02 4.39 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 0.86 0.00 0.00 0.92 0.00 0.00 61 N 8.87 4.60 0.00 2.08 2.61 0.00 0.00 6.50 8.66 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 62 A 8.31 4.60 1.22 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 63 M 9.06 4.60 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.80 0.00 64 L 8.81 4.28 0.00 1.69 1.58 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.66 4.47 0.00 3.91 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 66 G 9.08 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 0.00 0.00 0.00 67 P 0.00 4.32 0.00 2.06 2.14 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 68 M 7.71 4.35 0.00 2.00 2.08 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 2.53 2.46 0.00 69 G 8.22 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 70 G 8.87 3.69 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 0.00 0.00 0.00 71 D 8.02 4.26 0.00 2.70 2.67 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 0.00 0.00 0.00 0.00 72 Q 7.97 3.99 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 73 Q 8.14 3.95 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 74 V 7.97 3.60 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 0.89 0.00 0.00 0.92 0.00 0.00 75 G 8.31 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.26 3.90 1.32 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 77 L 7.83 3.79 0.00 1.67 1.46 0.73 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.58 3.59 1.94 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 1.48 0.61 0.88 0.00 0.00 79 S 7.44 2.79 0.00 3.88 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 80 E 7.61 3.95 0.00 1.88 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 2.17 2.11 0.00 81 G 7.02 3.62 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 0.00 0.00 0.00 82 K 8.04 4.08 0.00 1.59 1.58 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.35 7.81 83 I 7.27 4.34 1.71 0.00 0.00 0.35 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 0.66 0.86 0.00 0.00 84 D 8.94 4.80 0.00 2.51 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 85 V 7.61 4.70 2.20 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 1.29 0.00 0.00 0.96 0.00 0.00 86 L 9.06 4.86 0.00 1.79 1.54 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.77 4.56 1.65 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.81 0.00 0.00 0.00 88 F 9.48 5.39 0.00 2.97 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 89 F 9.50 5.33 0.00 2.99 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 90 W 8.01 4.60 0.00 3.04 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 0.00 0.00 0.00 91 D 8.93 4.42 0.00 2.81 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 92 P 0.00 4.46 0.00 1.85 1.02 0.00 3.47 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.48 0.00 93 L 8.46 4.79 0.00 1.63 1.61 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.96 4.93 0.00 2.86 2.73 0.00 0.00 7.01 7.35 0.00 0.00 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 A 8.80 4.15 1.27 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 0.00 0.00 0.00 96 V 8.22 4.49 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 0.96 0.00 0.00 0.98 0.00 0.00 97 P 0.00 4.28 0.00 2.21 2.24 0.00 3.76 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 2.00 1.97 0.00 98 Q 7.82 4.48 0.00 2.45 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 99 D 7.81 4.37 0.00 3.00 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 0.00 100 P 0.00 4.28 0.00 2.30 2.28 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 101 D 8.06 4.37 0.00 2.96 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 0.00 102 V 7.73 3.77 2.20 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 0.66 0.00 0.00 1.20 0.00 0.00 103 K 8.07 3.86 0.00 2.05 1.77 0.00 1.34 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.36 1.34 7.81 104 A 8.41 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 3.88 0.00 1.86 1.98 0.89 0.06 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 0.00 106 L 7.93 4.08 0.00 1.68 1.67 0.41 0.96 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 0.00 107 R 8.25 3.85 0.00 1.99 2.09 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 108 L 8.06 4.11 0.00 1.97 1.88 0.97 0.91 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 0.00 109 A 8.20 4.13 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 0.00 0.00 0.00 0.00 0.00 110 T 7.98 3.89 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 111 V 7.63 3.47 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 0.36 0.00 0.00 0.52 0.00 0.00 112 W 8.25 4.35 0.00 3.46 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 0.00 113 N 7.53 4.14 0.00 2.80 2.93 0.00 0.00 6.93 7.50 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 0.00 114 I 7.29 4.69 2.13 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 1.41 0.89 1.06 0.00 0.00 115 P 0.00 4.46 0.00 2.20 2.14 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 116 V 8.52 5.05 2.15 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 0.95 0.00 0.00 1.09 0.00 0.00 117 A 9.28 4.93 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 0.00 118 T 9.11 5.32 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 1.42 0.00 0.00 119 N 7.41 4.21 0.00 2.62 2.58 0.00 0.00 5.84 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 0.00 120 V 7.59 3.36 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 1.17 0.00 0.00 0.74 0.00 0.00 121 A 7.94 4.13 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 0.00 122 T 8.66 3.84 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 0.00 123 A 8.03 4.02 0.91 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 0.00 124 D 8.91 4.56 0.00 3.06 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 0.00 125 F 8.36 4.02 0.00 3.13 3.21 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 0.00 126 I 8.03 4.01 2.14 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 1.55 0.97 1.16 0.00 0.00 127 I 7.72 2.76 1.70 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.36 0.76 0.00 0.00 128 Q 7.69 4.25 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 129 S 7.49 4.37 0.00 4.27 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 0.00 130 P 0.00 4.29 0.00 2.06 2.13 0.00 3.82 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 1.83 1.93 0.00 131 H 7.97 5.41 0.00 3.27 3.35 0.00 5.91 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.28 3.96 0.00 3.14 3.19 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 0.00 133 N 8.27 5.08 0.00 2.77 2.65 0.00 0.00 6.45 8.06 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 0.00 134 D 8.00 5.25 0.00 2.59 2.57 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 0.00 0.00 0.00 0.00 135 A 8.43 4.50 1.21 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 0.00 136 V 8.68 4.38 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 0.98 0.00 0.00 0.97 0.00 0.00 137 D 8.85 5.20 0.00 2.61 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 0.00 138 I 9.08 4.75 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 0.94 0.00 0.00 139 L 8.49 5.14 0.00 1.56 1.65 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.94 4.89 2.20 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.08 1.16 0.00 0.00 141 P 0.00 4.53 0.00 1.76 1.78 0.00 3.43 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.00 0.00 142 D 9.23 4.66 0.00 2.75 2.67 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 0.00 0.00 0.00 0.00 143 Y 8.91 4.25 0.00 3.31 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 0.00 144 Q 8.51 3.94 0.00 2.24 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 145 R 8.27 3.95 0.00 1.96 1.97 0.00 3.30 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 146 Y 7.82 3.93 0.00 2.97 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 0.00 147 L 8.26 3.69 0.00 1.02 1.34 0.85 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.87 3.91 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 0.00 149 D 7.74 4.30 0.00 2.64 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 0.00 150 R 7.42 4.05 0.00 1.77 1.80 0.00 3.06 0.00 0.00 2.71 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.05 0.00 151 L 7.15 4.58 0.00 1.51 1.63 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 152 K 7.79 4.15 0.00 1.63 1.61 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.59 7.81