NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2590 8.1631 110.9396 60.9300 70.7330 172.4802 3 G 4.0597 7.5581 110.8836 41.0000 0.0000 170.3721 4 P 4.2733 0.0000 0.0000 63.1950 32.5151 175.9529 5 K 4.3002 8.4660 122.1939 53.9813 30.6395 177.0344 6 Q 4.5554 8.2499 123.9236 54.2246 30.0835 176.2350 7 Q 4.2635 8.1317 119.4914 54.5008 29.7417 174.3935 8 P 4.5475 0.0000 0.0000 61.7559 32.3977 175.9931 9 L 4.0457 8.1753 118.9895 53.9765 42.1728 175.8053 10 P 4.3038 0.0000 0.0000 62.3097 32.1005 175.4838 11 P 4.4965 0.0000 0.0000 65.0442 31.3509 177.9028 12 D 4.6372 8.0133 114.7946 54.6539 39.9108 176.9127 13 V 4.1281 7.7127 113.0789 61.4579 33.0944 175.7793 14 E 4.0438 7.6393 119.3749 58.0131 29.6041 177.9065 15 G 3.8683 8.7899 110.2145 46.0717 0.0000 173.7641 16 R 4.3726 7.7908 120.0950 54.3282 29.3611 177.0579 17 E 4.0957 8.5819 123.6516 58.5163 29.7252 178.1764 18 D 4.5030 7.9457 116.2506 54.0427 40.2694 176.5985 19 A 4.2209 7.5070 123.5144 51.9557 19.0288 176.8320 20 I 4.4969 7.8731 120.9739 59.1600 40.4252 174.9867 21 E 4.0782 8.7578 126.5818 55.8229 29.6793 176.4333 22 V 3.7708 8.5175 126.8400 65.4742 31.9762 175.1180 23 L 4.6627 7.1197 115.6354 55.0769 43.0263 174.3024 24 R 4.6619 8.6760 118.0275 54.3934 34.1653 174.2854 25 A 5.1814 8.3702 124.0473 50.1083 22.0884 175.0788 26 F 4.8751 9.6601 120.3666 55.4675 42.7719 174.6030 27 V 4.7256 8.3690 122.0853 60.3906 33.0329 175.3076 28 L 4.4223 9.0054 125.6108 55.1503 45.4195 174.7690 29 D 4.1847 9.6410 125.4486 55.6367 38.3005 174.3148 30 G 3.9516 8.8372 102.6651 46.0619 0.0000 173.9484 31 G 4.1190 7.9638 108.2298 44.2058 0.0000 171.4530 32 L 5.4146 8.3968 117.8376 52.9841 45.0091 176.4663 33 S 4.8763 9.2008 118.8889 56.8288 65.7837 173.2172 34 I 5.0358 8.4483 124.1898 59.3876 40.7573 174.3808 35 A 4.7006 8.9820 128.5261 50.0928 20.8209 175.1729 36 F 5.4078 8.6424 121.3521 56.3912 40.4271 176.4039 *38 R 4.3649 8.6912 122.8698 57.2608 31.5790 176.4446 39 A 4.3591 7.9443 118.4451 52.1821 19.2098 176.4540 40 F 4.8920 8.9683 121.7279 58.9572 40.3089 176.0206 41 E 3.7621 9.4479 120.4450 55.7016 27.4571 173.5545 42 D 4.4680 7.1466 118.3838 52.6538 45.0136 173.9474 43 P 4.6527 0.0000 0.0000 65.8529 31.6753 178.6877 44 E 3.9960 8.5953 121.0942 55.6668 28.8847 178.5920 *46 W 4.7703 8.2848 118.7917 56.3081 31.5102 178.0933 47 G 3.7421 8.3019 104.9657 47.8188 0.0000 175.5224 48 L 3.9860 8.1502 122.9488 57.6474 42.1383 178.7024 49 L 3.8831 7.8334 119.8298 58.1790 41.9801 178.7682 50 L 3.9626 8.1894 118.9647 57.7624 41.5050 179.6882 51 V 3.5765 7.9069 118.0916 66.1137 31.4985 177.7425 52 D 4.3631 8.3473 118.8616 57.4274 40.5945 178.9933 53 I 3.6630 7.8655 119.9060 64.3138 37.0690 178.2885 54 A 3.9502 8.1124 121.7882 55.3674 18.1952 179.9733 55 R 3.8796 8.4168 116.9637 59.3941 30.1302 178.6952 56 H 4.0714 8.3977 117.9039 59.2447 29.9044 177.0679 57 A 3.9732 8.4216 122.6654 55.1738 18.1197 179.4012 58 A 4.0916 8.3346 119.4889 55.4829 18.3547 180.1173 59 R 3.8761 8.1456 116.5301 59.4992 29.9081 179.5639 60 S 4.1158 7.8793 113.8829 61.6322 63.1198 175.6994 61 Y 4.5211 8.6095 122.4314 60.8928 38.3359 178.0277 62 A 4.1674 8.0541 121.9793 54.6746 18.5713 179.4006 63 R 4.1606 7.8017 114.4080 57.7696 30.2140 177.2737 64 E 4.6852 7.7728 117.3609 55.6166 30.0562 175.0608 65 S 4.6118 7.5875 113.0299 56.8366 65.8280 173.7888 66 E 3.8560 8.1966 117.6552 58.9101 29.0593 177.1352 67 Y 4.5288 7.0277 117.3297 57.4418 38.7851 175.2679 68 T 4.1854 8.7664 113.8477 60.9500 71.2458 175.5023 69 E 3.9098 8.5945 121.0511 59.5713 29.5430 178.4104 70 D 4.3409 8.0226 118.3651 57.4200 40.9661 178.4756 71 E 3.9046 8.1812 118.7583 59.2437 29.4162 179.2511 72 A 3.6746 8.2378 121.1998 54.9565 18.3717 179.4210 73 L 3.9062 8.1221 119.0079 58.2225 42.1008 178.6633 74 E 3.9326 8.3008 119.2865 59.4502 29.3061 179.1197 75 R 3.8985 7.6887 116.7948 59.2705 30.2099 178.8296 76 I 3.8911 7.7729 118.4870 64.4389 37.3506 178.4155 77 V 3.9906 8.2327 119.5106 65.8290 31.2904 177.9503 78 E 4.0480 8.3620 115.6661 57.2190 29.3585 177.9538 *80 F 4.9170 7.9305 120.0024 58.0765 41.2559 177.0100 81 E 3.6097 8.4258 119.9218 58.8933 29.0533 179.2738 82 A 3.9471 8.1438 121.2123 55.1648 18.3433 179.3386 83 E 3.9037 8.0957 117.3614 59.2618 29.5528 178.8690 84 L 3.9547 7.5720 118.6102 57.6105 41.7327 179.1320 85 S 4.4909 7.8677 113.0851 59.5147 64.3932 174.5479 86 R 4.5096 7.7557 120.5817 52.7182 30.4001 172.1264 87 P 4.7874 0.0000 0.0000 62.3237 32.0534 176.6861 88 T 4.1495 9.0106 114.1851 61.8266 69.6404 175.3426 89 D 3.7460 7.9624 117.6406 54.3886 38.8609 177.8333 *91 G 3.7650 8.0399 105.8530 46.2688 0.0000 172.4036 92 A 4.2521 8.2021 121.3530 52.0083 19.0096 177.1770 93 T 4.3100 8.2431 116.9299 62.9304 69.5071 174.5389 94 T 4.6272 8.3986 120.1189 59.9737 69.8330 172.4422 95 E 4.7086 8.7542 128.3406 54.1784 32.2633 174.7326 96 R 4.6531 8.4888 124.7961 54.6969 33.0143 174.1377 97 T 4.6354 8.6342 123.4866 62.5360 70.8393 175.0214 98 Q 4.1597 8.4220 122.7510 55.2491 29.2721 172.8063 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 2 T 8.16 4.26 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 3 G 7.56 4.06 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 0.00 4 P 0.00 4.27 0.00 2.30 2.02 0.00 3.74 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 1.91 1.80 0.00 5 K 8.47 4.30 0.00 1.80 1.69 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.02 7.81 6 Q 8.25 4.56 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.92 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 7 Q 8.13 4.26 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.05 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 8 P 0.00 4.55 0.00 2.16 2.05 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 9 L 8.18 4.05 0.00 1.64 1.64 0.91 1.00 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 10 P 0.00 4.30 0.00 2.27 1.95 0.00 3.58 0.00 0.00 3.84 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 11 P 0.00 4.50 0.00 2.16 2.10 0.00 3.85 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 2.10 2.03 0.00 12 D 8.01 4.64 0.00 2.76 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 13 V 7.71 4.13 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 0.73 0.00 0.00 0.91 0.00 0.00 14 E 7.64 4.04 0.00 2.20 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 2.33 2.27 0.00 15 G 8.79 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 16 R 7.79 4.37 0.00 1.99 2.04 0.00 3.28 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 17 E 8.58 4.10 0.00 1.95 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 2.31 2.29 0.00 18 D 7.95 4.50 0.00 2.77 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 19 A 7.51 4.22 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.87 4.50 1.84 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 1.29 0.86 0.91 0.00 0.00 21 E 8.76 4.08 0.00 1.92 1.87 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 2.28 2.26 0.00 22 V 8.52 3.77 1.92 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 0.53 0.00 0.00 0.69 0.00 0.00 23 L 7.12 4.66 0.00 1.39 1.58 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.68 4.66 0.00 1.82 1.78 0.00 3.11 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 25 A 8.37 5.18 1.07 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 26 F 9.66 4.88 0.00 2.91 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 27 V 8.37 4.73 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 0.70 0.00 0.00 1.00 0.00 0.00 28 L 9.01 4.42 0.00 1.75 1.52 0.92 0.89 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 29 D 9.64 4.18 0.00 2.85 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 30 G 8.84 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 31 G 7.96 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 32 L 8.40 5.41 0.00 1.53 1.57 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 S 9.20 4.88 0.00 3.77 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 34 I 8.45 5.04 1.73 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 1.20 0.60 0.05 0.00 0.00 35 A 8.98 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.64 5.41 0.00 3.09 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 *38 R 8.69 4.36 0.00 1.86 2.07 0.00 3.27 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 39 A 7.94 4.36 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 40 F 8.97 4.89 0.00 2.97 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 41 E 9.45 3.76 0.00 1.96 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 2.18 2.10 0.00 42 D 7.15 4.47 0.00 2.49 2.37 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 43 P 0.00 4.65 0.00 2.42 2.63 0.00 3.85 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 44 E 8.60 4.00 0.00 2.09 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 2.30 2.32 0.00 *46 W 8.28 4.77 0.00 3.69 3.38 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 47 G 8.30 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 0.00 0.00 0.00 48 L 8.15 3.99 0.00 1.75 1.62 0.97 0.34 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 49 L 7.83 3.88 0.00 1.65 1.82 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.19 3.96 0.00 1.99 1.68 1.20 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.91 3.58 2.23 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 1.11 0.00 0.00 1.03 0.00 0.00 52 D 8.35 4.36 0.00 2.83 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 53 I 7.87 3.66 1.81 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 1.41 0.74 0.86 0.00 0.00 54 A 8.11 3.95 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 55 R 8.42 3.88 0.00 1.90 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 56 H 8.40 4.07 0.00 3.30 3.47 0.00 5.79 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 57 A 8.42 3.97 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 58 A 8.33 4.09 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 59 R 8.15 3.88 0.00 1.98 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 60 S 7.88 4.12 0.00 3.96 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 61 Y 8.61 4.52 0.00 3.03 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 62 A 8.05 4.17 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 63 R 7.80 4.16 0.00 1.91 2.01 0.00 3.12 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 64 E 7.77 4.69 0.00 2.06 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 2.48 2.39 0.00 65 S 7.59 4.61 0.00 3.88 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 66 E 8.20 3.86 0.00 1.78 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 0.00 1.47 1.47 0.00 67 Y 7.03 4.53 0.00 2.77 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 68 T 8.77 4.19 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 1.26 0.00 0.00 69 E 8.59 3.91 0.00 2.05 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 2.41 0.00 70 D 8.02 4.34 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 3.90 0.00 2.31 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 2.36 2.35 0.00 72 A 8.24 3.67 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 73 L 8.12 3.91 0.00 1.87 1.84 0.95 0.86 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 74 E 8.30 3.93 0.00 2.06 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 2.29 2.36 0.00 75 R 7.69 3.90 0.00 2.00 2.00 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 76 I 7.77 3.89 2.05 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 1.41 0.70 0.91 0.00 0.00 77 V 8.23 3.99 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 1.19 0.00 0.00 1.04 0.00 0.00 78 E 8.36 4.05 0.00 2.16 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 2.32 2.33 0.00 *80 F 7.93 4.92 0.00 3.09 3.36 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 81 E 8.43 3.61 0.00 1.96 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 1.93 2.39 0.00 82 A 8.14 3.95 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 83 E 8.10 3.90 0.00 2.12 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 0.00 2.42 2.49 0.00 84 L 7.57 3.95 0.00 1.63 1.57 0.38 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.87 4.49 0.00 4.00 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 86 R 7.76 4.51 0.00 1.75 1.85 0.00 3.16 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 87 P 0.00 4.79 0.00 2.03 1.98 0.00 3.69 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 88 T 9.01 4.15 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 89 D 7.96 3.75 0.00 2.79 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 *91 G 8.04 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 92 A 8.20 4.25 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.24 4.31 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 1.22 0.00 0.00 94 T 8.40 4.63 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 1.21 0.00 0.00 95 E 8.75 4.71 0.00 1.94 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 2.18 2.26 0.00 96 R 8.49 4.65 0.00 1.77 1.75 0.00 3.25 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 1.50 1.62 0.00 97 T 8.63 4.64 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 1.22 0.00 0.00 98 Q 8.42 4.16 0.00 2.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.65 0.00 0.00 0.00 0.00 0.00 2.16 1.89 0.00 * Residues marked with a * may have inaccurate shift predictions.