NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2033 8.1727 122.0533 56.2929 34.1712 174.0223 2 V 4.5978 8.1480 126.4842 60.6944 32.4758 174.5797 3 F 4.2882 9.9913 128.9397 57.5435 40.1890 174.8308 4 E 4.2950 8.8945 120.6181 55.5605 31.0120 176.9342 5 R 3.3631 8.9739 121.7752 60.7106 29.9477 179.5501 6 C 4.3402 8.0174 115.2595 59.6508 34.6002 175.6574 7 E 3.8890 8.1201 120.7331 59.2226 29.2106 178.5103 8 L 3.6260 8.1224 120.1683 57.8945 42.1030 178.6036 9 A 3.9406 7.8143 120.7376 55.4382 18.2971 179.9051 10 R 3.9127 7.9998 116.4454 59.5604 30.2202 179.4899 11 T 3.8701 7.7049 115.1792 66.6444 68.4907 176.8064 12 L 3.8854 8.1302 121.2857 57.3537 41.5804 179.4331 13 K 3.8566 8.0782 119.6481 59.6602 31.9897 178.9035 14 R 3.9663 7.8911 117.3632 58.9510 29.9700 177.3866 15 L 4.4042 7.4098 116.2929 53.9703 41.7118 176.7848 16 G 3.8614 7.7873 106.7126 46.9997 0.0000 175.2675 17 M 3.8586 7.7702 121.4368 56.4922 32.3790 175.7179 18 D 4.5321 7.9840 117.6532 56.2804 41.0476 175.8351 19 G 3.9565 9.3008 115.8495 45.2347 0.0000 171.3210 20 Y 4.2285 8.3258 122.0742 58.7667 38.9193 176.3595 21 R 3.6823 9.0463 126.9155 57.3032 27.7586 177.3090 22 G 3.8038 8.1816 103.6848 45.6149 0.0000 174.0763 23 I 4.0590 7.5596 122.0221 59.2723 37.9331 175.8595 24 S 4.6722 8.3062 121.0042 57.9302 64.9267 174.7814 25 L 4.2247 8.6656 124.0710 58.5160 41.8821 179.2035 26 A 4.1505 8.2068 120.1870 55.3807 18.2826 179.2770 27 N 4.4647 7.9537 114.7723 56.3299 38.5884 177.7352 28 W 4.2629 8.0272 119.9029 59.9553 29.0704 178.5687 29 M 4.1732 8.5260 118.9758 58.5254 31.5314 177.9223 30 C 3.1186 8.0571 118.6179 59.0387 44.0182 175.3898 31 L 3.9814 8.0937 121.6548 58.2739 41.7808 178.7909 32 A 3.9113 8.3584 120.8791 54.8933 18.3778 179.4855 33 K 2.8176 8.0407 118.0410 59.2632 32.0354 179.0474 34 W 4.2951 7.5299 116.9627 58.9390 29.1188 178.4106 35 E 4.3334 8.3384 118.8034 58.6559 29.3195 177.7528 36 S 4.5121 7.9110 109.2327 56.5856 64.7743 174.2666 37 G 3.1861 7.9852 108.4838 47.0599 0.0000 173.3002 38 Y 3.6215 7.6552 113.0878 58.6715 35.4244 168.8622 39 N 5.3322 7.5792 117.8356 51.8325 40.2993 175.5513 40 T 3.9711 8.9155 117.5584 64.0412 69.0874 175.8506 41 R 4.3994 8.0677 116.7954 55.5808 29.9229 176.0081 42 A 4.3016 7.8283 122.8047 52.7531 19.1489 177.2211 43 T 5.0158 8.4360 112.0183 59.9532 72.4160 173.2572 44 N 4.8491 8.7855 121.9955 52.3842 42.0236 172.4950 45 Y 4.5362 8.7711 128.3006 57.5032 40.6569 173.9091 46 N 4.5694 8.4420 124.9471 51.2008 38.5351 175.2847 47 A 3.7662 8.4325 127.5091 54.8474 18.9410 179.2732 48 G 3.7307 8.1183 104.1533 48.0764 0.0000 173.8739 49 D 4.7412 7.5894 115.2567 52.0006 40.0299 175.7467 50 R 3.8077 8.0881 116.5831 57.0409 28.0714 175.7849 51 S 4.9535 7.5494 111.3148 56.9184 66.6764 172.6795 52 T 5.0619 8.7839 116.0172 61.9314 72.5321 172.8851 53 D 5.4407 9.0066 125.9171 53.5000 42.9289 175.0284 54 Y 5.0054 9.3723 121.3545 57.4708 41.4056 177.3900 55 G 4.3803 9.1339 112.1625 46.1468 0.0000 173.3854 56 I 3.9626 8.2782 116.8333 63.0350 37.8853 177.3888 57 F 4.6955 8.0513 115.4429 56.4070 39.7294 175.5072 58 Q 3.5349 7.8234 118.9511 57.1147 26.4361 173.4421 59 I 4.5089 8.3330 119.2854 60.7320 39.4658 176.3986 60 N 5.3649 9.2402 126.1794 53.3301 39.7402 175.7020 61 S 4.6463 9.0228 120.7583 60.1697 63.1854 175.3894 62 R 3.7677 8.6156 122.2240 58.4713 30.4490 177.6264 63 Y 4.1282 7.5862 114.5537 57.5159 40.7057 176.7600 64 W 5.2811 8.1783 118.6625 57.3111 31.3765 173.7792 65 C 5.4910 8.0738 112.4213 52.8257 46.5928 172.2086 66 N 5.1891 9.1714 119.0897 51.8980 40.5081 174.5783 67 D 4.8620 8.5985 123.1737 52.1930 40.6546 177.7135 68 G 4.1164 8.4487 110.5751 45.9903 0.0000 174.8652 69 K 4.3665 8.0123 116.1386 56.6647 32.9352 176.0101 70 T 4.5407 7.6782 117.0119 61.6115 69.3833 173.0047 71 P 4.3054 0.0000 0.0000 63.3093 31.9411 176.2449 72 G 3.9383 8.6353 106.3947 46.3454 0.0000 173.4365 73 A 4.3656 7.1834 118.3691 51.4413 19.3868 177.6777 74 V 4.3488 8.3831 118.7786 61.4701 35.6184 174.9145 75 N 4.7542 8.4283 120.8247 51.7394 39.6098 174.1782 76 A 4.0263 9.2928 127.0833 54.6192 18.6418 178.5675 77 A 4.1449 8.0023 114.1904 52.7050 19.1663 178.5176 78 H 4.1046 8.2715 110.1799 56.6019 26.2911 174.6193 79 L 4.5621 7.5642 119.4710 53.3463 43.4703 175.4841 80 S 4.8127 8.1632 114.5882 57.6394 63.5006 175.9196 81 C 4.1497 8.7080 124.7185 59.6395 35.4912 176.3824 82 S 3.9224 7.7207 115.1486 61.2043 61.6796 175.9292 83 A 4.1144 7.7964 122.6049 54.4963 17.8714 178.5442 84 L 4.4712 7.7002 115.9003 55.0867 41.6001 177.6590 85 L 4.9974 7.5292 117.7990 54.5610 42.2467 176.5893 86 Q 4.4154 7.7645 118.0157 55.2246 29.6983 175.8430 87 D 4.4237 8.4984 119.2198 57.0287 41.1464 176.8020 88 N 4.5760 8.0598 118.2033 53.1947 39.0555 174.5104 89 I 4.2656 8.4623 119.1808 61.0977 38.0082 176.9826 90 A 3.9371 8.3628 125.0564 56.0867 18.1355 180.2429 91 D 4.3199 8.0874 116.4642 57.3488 40.9194 178.6970 92 A 4.1081 7.9891 120.9788 55.0357 18.4541 179.7635 93 V 3.3093 8.1432 116.9029 65.9781 31.7218 178.1091 94 A 3.8405 8.0287 120.3311 54.9978 18.1897 179.5281 95 A 3.9250 8.2015 119.0569 55.3034 18.5951 179.6850 96 A 4.0334 8.0666 119.4339 55.2737 18.0806 180.0297 97 K 3.8007 7.5614 116.1105 59.3609 32.3575 179.2516 98 R 4.0458 7.7563 118.5541 59.3036 29.9012 178.5057 99 V 2.0000 7.2581 117.9178 65.6838 31.1598 177.8987 100 V 3.9267 7.3020 107.5977 62.4001 31.5830 177.6794 101 R 4.2112 7.6433 117.4832 56.5238 30.7268 176.2154 102 D 4.7958 7.2478 120.0401 52.3236 42.0286 175.5421 103 P 4.2753 0.0000 0.0000 66.0810 31.1509 177.7305 104 Q 4.0011 8.1946 117.7778 56.8106 29.9763 177.0590 105 G 3.9197 8.0651 107.3131 46.0158 0.0000 176.0791 106 V 3.5775 7.7432 119.1211 63.9529 31.4775 178.2334 107 R 4.3016 7.2531 118.2685 57.4862 29.9838 177.4182 108 A 4.0419 7.6582 121.0516 54.1276 18.6976 177.6944 109 W 4.7034 8.0151 116.8141 55.3962 30.0290 177.4967 110 V 3.7250 8.7351 123.6920 66.0090 30.9330 177.5984 111 A 4.0785 8.3241 120.1195 54.7576 18.0605 179.2415 112 W 3.9716 8.3118 126.9961 60.6965 30.5808 178.3673 113 R 3.6732 8.1269 116.2415 59.3221 29.6465 178.4170 114 N 4.3884 7.7967 114.7327 55.3930 38.7331 176.8055 115 R 4.1397 7.6294 113.4306 55.8888 30.4191 175.3436 116 C 4.5310 7.7566 116.2343 58.3411 42.7057 174.3501 117 Q 3.2397 6.4398 118.6454 57.3391 28.6327 175.4525 118 N 4.1976 8.7016 120.2128 54.2170 36.1693 173.7302 119 R 4.5197 7.3309 115.3911 53.9403 33.2175 175.3096 120 D 4.5453 8.4921 118.7762 54.2771 40.6679 175.8808 121 V 4.6059 8.2546 119.2479 61.4091 32.5537 178.2968 122 R 4.0670 8.1238 122.3363 59.2445 29.5170 178.6644 123 Q 3.9842 8.0796 116.2901 59.5285 28.3078 178.1576 124 Y 4.3764 7.8207 117.7085 59.8567 38.0329 176.7621 125 V 4.4283 7.6597 110.4868 60.5659 33.0409 174.9298 126 Q 3.9844 8.0328 122.2988 57.2470 29.2035 176.3916 127 G 3.9682 8.9258 112.8372 46.0261 0.0000 174.4727 128 C 4.3979 7.9143 116.3742 57.0239 40.6223 174.4289 129 G 3.8742 8.2360 107.1876 46.2704 0.0000 174.0227 130 V 3.9931 7.8061 118.0288 61.0888 31.9427 175.8134 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 K 8.17 4.20 0.00 1.82 1.74 0.00 1.32 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.17 7.81 2 V 8.15 4.60 2.09 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 9.99 4.29 0.00 2.84 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 4 E 8.89 4.29 0.00 1.97 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 0.00 2.30 2.22 0.00 5 R 8.97 3.36 0.00 1.92 1.92 0.00 3.41 0.00 0.00 3.45 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 6 C 8.02 4.34 0.00 3.00 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 7 E 8.12 3.89 0.00 2.05 2.21 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 2.61 2.42 0.00 8 L 8.12 3.63 0.00 1.39 1.40 -0.05 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.81 3.94 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 10 R 8.00 3.91 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 11 T 7.70 3.87 4.28 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 1.20 0.00 0.00 12 L 8.13 3.89 0.00 1.74 1.58 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.08 3.86 0.00 1.93 1.94 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.89 3.97 0.00 1.94 2.07 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.41 4.40 0.00 1.67 1.54 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.79 3.86 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 0.00 0.00 0.00 17 M 7.77 3.86 0.00 1.30 1.95 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 18 D 7.98 4.53 0.00 2.67 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 19 G 9.30 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 0.00 0.00 0.00 20 Y 8.33 4.23 0.00 3.30 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 21 R 9.05 3.68 0.00 1.90 1.85 0.00 3.28 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.33 0.00 22 G 8.18 3.80 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 0.00 0.00 0.00 23 I 7.56 4.06 1.79 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.91 -0.29 0.00 0.00 24 S 8.31 4.67 0.00 4.11 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 L 8.67 4.22 0.00 2.05 1.81 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.21 4.15 1.52 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 27 N 7.95 4.46 0.00 2.83 2.73 0.00 0.00 6.96 7.37 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 28 W 8.03 4.26 0.00 3.56 3.14 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 29 M 8.53 4.17 0.00 2.19 2.39 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 2.71 2.92 0.00 30 C 8.06 3.12 0.00 2.60 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 31 L 8.09 3.98 0.00 1.81 1.87 0.62 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.36 3.91 1.40 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 0.00 0.00 33 K 8.04 2.82 0.00 1.51 1.65 0.00 0.67 0.00 0.00 1.14 0.00 0.00 2.61 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.92 0.21 7.81 34 W 7.53 4.30 0.00 3.34 3.24 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 35 E 8.34 4.33 0.00 1.99 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 2.57 2.36 0.00 36 S 7.91 4.51 0.00 4.04 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 37 G 7.99 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 0.00 0.00 0.00 38 Y 7.66 3.62 0.00 3.21 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 39 N 7.58 5.33 0.00 2.84 2.81 0.00 0.00 7.01 7.10 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 40 T 8.92 3.97 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 1.44 0.00 0.00 41 R 8.07 4.40 0.00 2.00 2.10 0.00 3.09 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 42 A 7.83 4.30 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 43 T 8.44 5.02 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 1.32 0.00 0.00 44 N 8.79 4.85 0.00 3.01 2.67 0.00 0.00 6.87 7.18 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 45 Y 8.77 4.54 0.00 3.06 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 46 N 8.44 4.57 0.00 2.65 2.61 0.00 0.00 6.54 7.61 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 47 A 8.43 3.77 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 48 G 8.12 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 49 D 7.59 4.74 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 50 R 8.09 3.81 0.00 2.01 2.17 0.00 3.10 0.00 0.00 3.18 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 51 S 7.55 4.95 0.00 3.80 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 52 T 8.78 5.06 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 0.63 0.00 0.00 53 D 9.01 5.44 0.00 2.72 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 54 Y 9.37 5.01 0.00 2.99 2.91 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 55 G 9.13 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 0.00 0.00 0.00 0.00 56 I 8.28 3.96 1.69 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.81 0.16 0.00 0.00 57 F 8.05 4.70 0.00 3.21 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 58 Q 7.82 3.53 0.00 2.55 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.78 0.00 59 I 8.33 4.51 2.15 0.00 0.00 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 1.29 1.02 1.20 0.00 0.00 60 N 9.24 5.36 0.00 3.12 3.08 0.00 0.00 6.97 7.63 0.00 0.00 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 S 9.02 4.65 0.00 4.05 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 62 R 8.62 3.77 0.00 1.51 1.11 0.00 2.48 0.00 0.00 2.87 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 63 Y 7.59 4.13 0.00 1.43 1.81 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 64 W 8.18 5.28 0.00 3.42 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 65 C 8.07 5.49 0.00 3.05 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 66 N 9.17 5.19 0.00 2.80 2.68 0.00 0.00 7.09 8.09 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 67 D 8.60 4.86 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 68 G 8.45 4.12 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 0.00 0.00 0.00 69 K 8.01 4.37 0.00 1.93 1.93 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 70 T 7.68 4.54 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 1.14 0.00 0.00 71 P 0.00 4.31 0.00 2.15 1.96 0.00 3.73 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 72 G 8.64 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 73 A 7.18 4.37 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 74 V 8.38 4.35 1.94 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 0.69 0.00 0.00 0.85 0.00 0.00 75 N 8.43 4.75 0.00 2.71 2.56 0.00 0.00 6.77 8.15 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 76 A 9.29 4.03 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 77 A 8.00 4.14 1.60 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 0.00 0.00 78 H 8.27 4.10 0.00 3.35 3.49 0.00 5.89 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.56 4.56 0.00 1.75 1.60 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.16 4.81 0.00 3.83 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 81 C 8.71 4.15 0.00 2.30 1.45 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 0.00 0.00 0.00 0.00 82 S 7.72 3.92 0.00 3.79 3.83 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 83 A 7.80 4.11 1.38 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 0.00 0.00 84 L 7.70 4.47 0.00 1.96 1.83 1.05 0.51 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 85 L 7.53 5.00 0.00 1.81 1.72 1.14 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.76 4.42 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 7.11 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 87 D 8.50 4.42 0.00 2.66 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 88 N 8.06 4.58 0.00 2.70 2.76 0.00 0.00 6.96 7.94 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 89 I 8.46 4.27 1.82 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.43 0.99 0.00 0.00 90 A 8.36 3.94 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 91 D 8.09 4.32 0.00 2.72 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 92 A 7.99 4.11 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 93 V 8.14 3.31 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 0.69 0.00 0.00 0.86 0.00 0.00 94 A 8.03 3.84 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 95 A 8.20 3.93 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 96 A 8.07 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.56 3.80 0.00 1.62 1.44 0.00 1.26 0.00 0.00 0.74 0.00 0.00 2.18 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.93 7.81 98 R 7.76 4.05 0.00 1.99 2.11 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 99 V 7.26 2.00 1.78 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 -0.25 0.00 0.00 -0.42 0.00 0.00 100 V 7.30 3.93 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 1.08 0.00 0.00 1.44 0.00 0.00 101 R 7.64 4.21 0.00 2.10 2.03 0.00 3.24 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 102 D 7.25 4.80 0.00 2.94 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 0.00 103 P 0.00 4.28 0.00 2.15 2.20 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 104 Q 8.19 4.00 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 105 G 8.07 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 0.00 106 V 7.74 3.58 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 -0.94 0.00 0.00 -0.45 0.00 0.00 107 R 7.25 4.30 0.00 2.03 2.10 0.00 3.19 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.64 0.00 108 A 7.66 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.02 4.70 0.00 3.54 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 0.00 110 V 8.74 3.73 2.18 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 1.09 0.00 0.00 1.00 0.00 0.00 111 A 8.32 4.08 1.52 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 0.00 112 W 8.31 3.97 0.00 3.52 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 0.00 113 R 8.13 3.67 0.00 2.07 1.96 0.00 3.53 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.99 0.00 114 N 7.80 4.39 0.00 2.56 2.72 0.00 0.00 6.92 7.78 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 0.00 115 R 7.63 4.14 0.00 0.87 0.96 0.00 2.78 0.00 0.00 2.91 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.90 0.00 116 C 7.76 4.53 0.00 1.77 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 0.00 117 Q 6.44 3.24 0.00 0.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.86 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 118 N 8.70 4.20 0.00 2.80 2.82 0.00 0.00 6.85 7.66 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 0.00 119 R 7.33 4.52 0.00 1.81 1.80 0.00 3.20 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 120 D 8.49 4.55 0.00 2.63 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 0.00 121 V 8.25 4.61 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 0.86 0.00 0.00 1.06 0.00 0.00 122 R 8.12 4.07 0.00 1.91 2.01 0.00 3.16 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 123 Q 8.08 3.98 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.12 0.00 0.00 0.00 0.00 0.00 2.03 1.48 0.00 124 Y 7.82 4.38 0.00 3.23 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 0.00 125 V 7.66 4.43 2.14 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 0.94 0.00 0.00 1.06 0.00 0.00 126 Q 8.03 3.98 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.84 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 127 G 8.93 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 0.00 0.00 0.00 128 C 7.91 4.40 0.00 2.94 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 0.00 129 G 8.24 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 0.00 130 V 7.81 3.99 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 0.76 0.00 0.00 0.96 0.00 0.00