NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 L 4.1015 8.1849 122.4286 54.8716 43.2314 175.6727 -3 Y 4.7668 8.3755 123.3183 54.4978 40.0600 174.2509 -2 F 5.1911 9.0562 118.1785 56.1592 41.5954 174.0985 -1 Q 4.1740 8.7634 121.2755 57.0049 29.0736 177.7300 0 G 3.8052 8.7082 105.4600 46.0238 0.0000 171.0289 -2 P 4.9911 0.0000 0.0000 61.7592 34.0954 175.5985 -1 H 4.5640 8.8634 119.6755 56.3049 28.6736 175.8300 0 L 4.1852 8.5382 118.4600 56.0238 39.3246 173.7289 5 V 4.8387 8.7183 125.9718 61.1911 34.3649 173.9201 6 I 4.8423 8.9747 129.0971 59.5709 39.7254 174.3706 7 E 4.8976 9.5063 126.2014 54.2940 32.7099 174.8630 8 A 4.9838 8.0659 125.4527 49.7457 22.5467 175.6127 9 T 3.4996 7.8700 112.0901 61.0562 69.3017 175.6192 10 A 3.9749 7.9655 127.1441 55.1432 18.5057 178.4296 11 N 4.5870 7.1518 109.5296 53.4513 37.9130 174.7332 12 L 4.2765 7.5947 122.7275 54.7738 43.0080 175.8884 13 R 4.5874 9.0703 126.0113 54.9595 31.8365 175.6136 14 L 5.1905 8.3571 122.8297 53.0410 44.1954 176.5408 15 E 4.3400 9.3145 120.6381 58.2474 29.9495 176.7761 16 T 4.6779 7.5808 108.0831 58.4100 72.3330 174.0425 17 S 4.2110 8.1817 116.5191 57.6778 64.8495 173.2527 18 P 3.5940 0.0000 0.0000 65.4445 30.8011 179.1101 19 G 3.5544 7.8181 103.9148 47.8639 0.0000 175.1305 20 E 3.8849 8.2443 122.1384 58.6930 29.5357 178.5828 21 L 3.9138 7.9431 120.4138 58.1459 42.1285 178.9473 22 L 3.9974 8.0922 119.0543 57.7999 41.5191 179.2467 23 E 3.9555 8.4097 118.7142 59.7180 29.4615 179.5494 24 Q 3.9987 8.3321 117.7976 58.7797 28.6512 178.7945 25 A 4.0165 8.3041 122.0021 55.2855 18.4340 179.3784 26 N 4.2729 8.6355 115.2579 56.4636 38.6207 177.4768 27 A 4.1138 8.3065 121.9610 55.1251 18.2492 179.5757 28 A 4.0055 7.9969 118.2450 55.2823 18.7875 179.5317 29 L 4.2777 8.2851 117.7512 58.1094 41.7470 179.5998 30 F 4.4088 8.9011 120.7846 61.2271 39.0937 176.9359 31 A 4.0137 8.1561 119.6909 54.4825 18.1851 179.3350 32 S 4.1491 7.7382 112.3739 59.4850 62.9912 175.6923 33 G 3.6473 7.4844 109.3635 45.8558 0.0000 173.9687 34 Q 4.0637 7.2767 117.2699 55.5556 29.4916 175.7368 35 F 5.2103 7.4105 115.3940 55.0499 43.0078 174.7947 36 G 4.0378 8.6987 111.9068 44.8428 0.0000 173.9424 37 E 3.5517 9.3775 124.7686 59.1915 29.4921 178.6624 38 A 4.3111 7.8912 117.6447 53.5759 18.7719 177.5426 39 D 4.5997 8.1014 115.7034 55.3606 41.4787 176.0353 40 I 4.2215 7.1849 119.4408 60.5776 37.5183 175.8855 41 K 4.6302 8.5871 127.4338 54.6180 34.0602 175.8086 42 S 6.0585 8.6590 119.4427 56.7917 66.2187 173.4934 43 R 4.8285 8.2918 115.7816 55.0291 32.8165 173.1827 44 F 5.3628 8.8567 122.4229 56.6148 42.2925 174.4289 45 V 4.5266 8.2837 118.6541 59.7879 35.4294 174.6615 46 T 4.6199 8.4559 121.2131 62.6587 69.8954 174.4414 47 L 4.3458 8.8053 127.4025 53.9242 41.8716 177.6437 48 E 4.1112 9.0126 124.3356 57.7958 29.9871 176.9653 49 A 4.5441 7.9237 120.5105 50.3922 20.9364 174.4326 50 Y 4.9811 7.5472 119.0374 56.3144 41.0653 174.5898 51 R 4.4987 8.5147 120.2239 55.1733 33.1354 173.8736 52 Q 4.4423 8.9487 126.5418 55.1054 30.2487 175.9338 53 G 3.9265 8.6690 116.9650 45.5412 0.0000 171.9327 54 T 4.4434 8.3442 106.1632 61.5610 70.9111 174.5587 55 A 4.0622 7.9358 123.9348 52.2036 19.2344 177.7732 56 A 4.3821 8.1931 124.6730 50.9003 16.9471 176.8855 57 V 4.5123 7.2210 119.0593 60.1029 35.2865 174.5141 58 E 4.3448 9.4820 127.5626 56.4856 30.2658 176.1621 59 R 5.0893 8.7107 122.2980 54.4587 34.6549 174.2855 60 A 4.8583 8.6514 123.2068 50.4520 22.8929 174.3430 61 Y 5.1324 7.9096 116.9281 55.8195 42.5738 173.5892 62 L 5.1698 9.1153 121.1585 53.9671 45.8574 174.2308 63 H 5.5421 9.5747 125.1563 54.4927 33.7351 171.6569 64 A 5.1526 8.7867 125.9015 50.1568 22.8672 174.6232 65 C 4.9320 8.8966 120.7212 57.5430 34.5211 172.4462 66 L 5.1794 8.9136 130.1357 54.0827 43.2875 175.1972 67 S 5.3331 8.7215 122.7536 56.8602 64.8929 173.4167 68 I 4.5904 8.3876 118.0728 58.4309 40.9712 175.0219 69 L 4.3843 8.2997 122.7282 54.2071 42.0646 177.1681 70 D 4.8302 8.0716 121.0573 53.8278 39.7789 176.4801 71 G 3.8725 8.7803 108.1661 45.9256 0.0000 174.7315 72 R 4.2845 7.7232 118.6339 55.3048 31.5081 176.2044 73 D 4.6898 8.2278 119.9679 52.4297 42.0863 177.3212 74 A 3.9612 8.4260 121.0116 55.3518 18.3469 179.6356 75 A 3.9503 7.9868 118.6957 55.5916 18.4406 179.8867 76 T 3.7975 8.2888 114.1114 66.8250 68.5787 177.1273 77 R 3.9439 7.8461 119.6632 59.3453 30.1091 178.9433 78 Q 3.9582 8.2678 119.0858 59.1466 29.0828 178.1654 79 A 4.0111 8.1746 121.8388 54.9380 18.4112 179.5331 80 L 4.0776 8.1647 117.6964 58.0213 41.7624 179.8782 81 G 3.6928 8.1153 105.5238 47.9687 0.0000 175.2720 82 E 3.9627 8.3788 121.7885 58.9576 29.6471 178.8308 83 S 4.1208 8.2308 113.2860 61.3829 62.3708 176.1875 84 L 4.0542 7.9830 121.7597 57.8066 41.2493 178.9590 85 C 4.0936 8.3107 118.8485 62.3319 31.4903 175.2682 86 E 3.9095 8.2242 120.9791 59.1703 29.0262 178.8997 87 V 3.5914 7.3649 116.4960 66.0266 31.9264 177.6222 88 L 4.1504 8.1980 118.5849 57.8755 41.5624 179.3691 89 A 4.1187 8.4008 121.0843 55.2353 18.1134 179.9161 90 G 3.6491 8.1211 102.6303 47.2785 0.0000 174.8976 91 A 4.3827 7.8730 121.7737 51.9173 18.9796 177.0760 92 V 3.9485 7.1342 117.6867 62.5728 32.2615 175.4722 93 A 4.3757 9.2135 131.2832 52.6427 19.3694 177.5057 94 G 4.0836 7.4068 104.3431 45.3931 0.0000 171.1317 95 G 4.0880 8.3661 106.7539 46.0210 0.0000 175.5576 96 G 3.9216 8.6785 110.0140 45.0944 0.0000 173.4216 97 E 4.6032 8.7558 118.7698 55.9351 30.3241 175.2165 98 E 4.5484 7.6152 116.4268 55.2751 32.1679 174.9009 99 G 3.7597 8.6545 107.0393 46.3273 0.0000 172.6340 100 V 4.6096 7.9052 119.3707 60.0942 33.3414 175.1144 101 Q 4.2986 8.7902 127.6474 55.7430 29.8797 175.0195 102 V 5.1166 8.4634 124.0522 61.1596 33.9629 174.6492 103 S 4.8362 8.9414 120.9071 56.9402 67.0025 173.0005 104 V 4.7375 8.2024 120.1973 61.3899 34.1718 173.9035 105 E 4.5719 9.1322 129.3876 54.9128 31.6094 174.5845 106 V 4.9013 8.3945 126.2331 61.1769 33.4300 174.6181 107 R 4.7702 9.3114 124.2068 54.7113 32.8561 174.8004 108 E 5.7120 8.1755 118.2279 53.6374 32.3896 174.0728 *110 E 4.5028 8.3508 118.4569 56.5114 30.3935 176.6371 111 R 3.9031 9.3791 127.3009 59.5008 30.2819 178.5920 112 A 4.1019 8.1023 118.8521 54.2770 18.4621 177.8683 113 S 4.6301 7.4799 106.7332 58.1015 64.0390 173.7532 114 Y 4.1546 7.9203 123.5180 57.4695 38.8772 174.2792 115 A 4.7116 7.9048 130.2107 50.1739 21.1785 175.6434 116 K 4.6735 8.0870 119.7459 55.7973 35.5729 175.5776 117 R 4.8315 8.4249 117.9516 55.0792 34.1173 174.5316 118 V 3.9627 8.1350 120.0844 60.9617 32.9419 175.2387 119 V 3.9349 8.1504 127.2849 61.0194 31.4719 175.2919 120 A 4.1358 8.2432 130.2579 51.7233 19.0528 176.9471 121 R 4.0412 8.2910 118.3185 56.7006 30.1600 176.3880 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 L 8.18 4.10 0.00 1.51 1.54 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.38 4.77 0.00 3.18 2.93 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 -2 F 9.06 5.19 0.00 3.34 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 -1 Q 8.76 4.17 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.13 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 0 G 8.71 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 -2 P 0.00 4.99 0.00 2.49 1.85 0.00 2.20 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 -1 H 8.86 4.56 0.00 3.53 3.41 0.00 7.29 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 L 8.54 4.19 0.00 1.59 1.66 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.72 4.84 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 0.94 0.00 0.00 6 I 8.97 4.84 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.56 0.97 0.00 0.00 7 E 9.51 4.90 0.00 1.83 1.72 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 2.14 2.18 0.00 8 A 8.07 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.87 3.50 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 -0.38 0.00 0.00 10 A 7.97 3.97 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 0.00 0.00 11 N 7.15 4.59 0.00 2.87 3.06 0.00 0.00 6.91 7.67 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 12 L 7.59 4.28 0.00 1.56 1.64 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 R 9.07 4.59 0.00 1.93 1.82 0.00 3.13 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 14 L 8.36 5.19 0.00 1.59 1.61 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.31 4.34 0.00 1.79 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 2.47 2.40 0.00 16 T 7.58 4.68 4.19 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 1.23 0.00 0.00 17 S 8.18 4.21 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 18 P 0.00 3.59 0.00 1.69 0.49 0.00 3.39 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.51 0.00 19 G 7.82 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 0.00 0.00 0.00 20 E 8.24 3.88 0.00 1.96 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 2.28 2.43 0.00 21 L 7.94 3.91 0.00 1.73 1.73 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.09 4.00 0.00 1.87 1.71 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.41 3.96 0.00 2.15 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 2.31 2.53 0.00 24 Q 8.33 4.00 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.79 0.00 25 A 8.30 4.02 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 26 N 8.64 4.27 0.00 2.98 2.89 0.00 0.00 6.96 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 27 A 8.31 4.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.01 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 29 L 8.29 4.28 0.00 1.95 1.89 0.85 1.30 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 30 F 8.90 4.41 0.00 3.23 3.27 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 31 A 8.16 4.01 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 32 S 7.74 4.15 0.00 3.95 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 33 G 7.48 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.28 4.06 0.00 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.60 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 35 F 7.41 5.21 0.00 3.17 2.90 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 36 G 8.70 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 0.00 0.00 0.00 37 E 9.38 3.55 0.00 1.49 1.84 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 1.79 1.76 0.00 38 A 7.89 4.31 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 39 D 8.10 4.60 0.00 3.03 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 40 I 7.18 4.22 1.86 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.66 0.90 0.00 0.00 41 K 8.59 4.63 0.00 1.51 1.74 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.51 7.81 42 S 8.66 6.06 0.00 3.85 3.84 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 43 R 8.29 4.83 0.00 1.88 2.05 0.00 3.11 0.00 0.00 3.54 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 44 F 8.86 5.36 0.00 3.01 2.85 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 0.00 0.00 0.00 0.00 45 V 8.28 4.53 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 0.76 0.00 0.00 0.84 0.00 0.00 46 T 8.46 4.62 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 1.20 0.00 0.00 47 L 8.81 4.35 0.00 1.36 1.65 0.89 0.88 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 48 E 9.01 4.11 0.00 2.00 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 0.00 2.34 2.33 0.00 49 A 7.92 4.54 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 50 Y 7.55 4.98 0.00 3.14 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 51 R 8.51 4.50 0.00 1.71 1.82 0.00 3.18 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 52 Q 8.95 4.44 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 53 G 8.67 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 54 T 8.34 4.44 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 55 A 7.94 4.06 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 56 A 8.19 4.38 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 57 V 7.22 4.51 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 0.90 0.00 0.00 0.95 0.00 0.00 58 E 9.48 4.34 0.00 1.95 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 2.35 2.46 0.00 59 R 8.71 5.09 0.00 1.76 2.06 0.00 3.35 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 60 A 8.65 4.86 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 61 Y 7.91 5.13 0.00 3.15 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 62 L 9.12 5.17 0.00 1.76 1.54 1.01 0.94 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 63 H 9.57 5.54 0.00 3.29 3.14 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.79 5.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.90 4.93 0.00 2.98 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 66 L 8.91 5.18 0.00 1.78 1.51 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.72 5.33 0.00 3.79 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 68 I 8.39 4.59 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.96 0.00 0.00 69 L 8.30 4.38 0.00 1.49 1.55 0.81 0.41 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 70 D 8.07 4.83 0.00 2.81 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 71 G 8.78 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 72 R 7.72 4.28 0.00 1.81 1.85 0.00 3.35 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 73 D 8.23 4.69 0.00 2.93 2.79 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 0.00 0.00 0.00 74 A 8.43 3.96 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 75 A 7.99 3.95 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 76 T 8.29 3.80 4.44 0.00 0.00 0.00 0.00 0.00 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 77 R 7.85 3.94 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 78 Q 8.27 3.96 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 79 A 8.17 4.01 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 80 L 8.16 4.08 0.00 1.93 1.82 1.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.12 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 82 E 8.38 3.96 0.00 2.11 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 2.31 2.37 0.00 83 S 8.23 4.12 0.00 3.96 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 84 L 7.98 4.05 0.00 1.92 1.71 0.93 0.84 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 85 C 8.31 4.09 0.00 3.13 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 86 E 8.22 3.91 0.00 2.15 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 0.00 2.32 2.37 0.00 87 V 7.36 3.59 2.25 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 0.97 0.00 0.00 0.98 0.00 0.00 88 L 8.20 4.15 0.00 2.01 1.74 1.04 1.26 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 89 A 8.40 4.12 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 90 G 8.12 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.87 4.38 1.39 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 0.00 0.00 0.00 92 V 7.13 3.95 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 0.81 0.00 0.00 0.96 0.00 0.00 93 A 9.21 4.38 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 94 G 7.41 4.08 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 0.00 0.00 0.00 95 G 8.37 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.68 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 97 E 8.76 4.60 0.00 2.03 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 0.00 2.48 2.23 0.00 98 E 7.62 4.55 0.00 2.05 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 0.00 2.20 2.32 0.00 99 G 8.65 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 0.00 0.00 0.00 100 V 7.91 4.61 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 1.08 0.00 0.00 0.94 0.00 0.00 101 Q 8.79 4.30 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 102 V 8.46 5.12 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 0.87 0.00 0.00 0.97 0.00 0.00 103 S 8.94 4.84 0.00 3.95 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 0.00 104 V 8.20 4.74 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 0.79 0.00 0.00 0.95 0.00 0.00 105 E 9.13 4.57 0.00 2.14 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 2.26 2.26 0.00 106 V 8.39 4.90 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 0.92 0.00 0.00 1.04 0.00 0.00 107 R 9.31 4.77 0.00 1.83 2.17 0.00 2.79 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 108 E 8.18 5.71 0.00 2.01 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 2.29 2.21 0.00 *110 E 8.35 4.50 0.00 2.04 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 2.38 2.28 0.00 111 R 9.38 3.90 0.00 2.12 1.89 0.00 3.15 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 112 A 8.10 4.10 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 0.00 113 S 7.48 4.63 0.00 4.04 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 0.00 114 Y 7.92 4.15 0.00 3.04 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 0.00 115 A 7.90 4.71 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.09 4.67 0.00 1.94 1.57 0.00 0.65 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.18 1.22 7.81 117 R 8.42 4.83 0.00 1.80 1.83 0.00 3.17 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 118 V 8.13 3.96 1.75 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 0.59 0.00 0.00 -0.18 0.00 0.00 119 V 8.15 3.93 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 0.83 0.00 0.00 0.91 0.00 0.00 120 A 8.24 4.14 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 0.00 121 R 8.29 4.04 0.00 1.75 1.80 0.00 3.25 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.