NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 H 4.7801 8.4293 116.3122 55.1290 30.1908 172.1876 -4 H 4.6918 7.4039 113.8705 53.7230 31.8563 171.2871 -3 H 4.3752 8.7444 118.4160 56.4816 30.3921 178.3890 *-2 H 4.1161 9.1037 121.1934 57.7754 28.2351 176.2954 *-1 H 5.1476 8.2648 117.3173 52.4025 29.9534 174.2793 0 H 4.5291 7.9898 122.2162 54.0465 31.4563 172.4544 -3 F 4.2652 8.6244 120.5160 59.1816 40.9921 180.0890 *-2 Y 3.9361 8.8037 123.2934 60.6754 37.0351 178.0954 *-1 E 4.7676 8.2648 119.3173 54.0025 30.8534 176.7793 0 I 3.9691 7.5698 123.9162 60.1465 41.2563 174.7544 6 R 5.0439 8.9379 126.9623 54.6057 32.7439 175.2424 7 T 4.9364 9.0140 120.6490 61.9102 71.8116 172.5414 8 Y 5.4198 8.9631 124.2830 56.2269 41.4942 174.6143 9 R 4.8317 9.1593 124.8003 55.0166 31.5878 175.6361 10 L 4.8837 8.8534 127.1841 53.1470 43.6158 176.4853 11 K 4.1636 8.7061 121.6840 56.1233 33.1314 175.5525 12 N 4.6058 8.8143 125.2338 55.5589 39.0974 174.9322 13 G 3.9183 9.3395 113.7556 45.9410 0.0000 174.1306 14 A 4.3823 8.0337 120.8136 52.4052 18.8119 179.1483 15 I 3.6829 7.6927 119.2140 64.0301 37.2354 176.1354 16 P 4.1491 0.0000 0.0000 65.6257 31.2371 178.5015 17 A 3.9882 7.9768 118.9210 55.1886 18.3021 178.8113 18 Y 3.9631 8.3677 118.2551 61.0325 38.9545 178.4063 19 L 3.9757 8.4904 120.2703 57.4634 41.5632 179.4855 20 K 3.8917 8.2305 119.9415 59.5970 32.2537 179.3598 21 V 3.6658 7.7179 119.2889 64.5122 31.3983 178.5382 22 V 3.5492 7.8770 119.2165 65.6603 31.1177 177.5970 23 E 3.7735 7.8749 117.8165 59.5785 29.6231 178.3362 24 D 4.5203 8.1632 117.5860 56.5128 40.9846 177.1248 25 E 4.6334 8.3642 115.6182 54.9277 32.2751 177.0955 26 G 2.9933 7.5542 104.1054 45.6122 0.0000 175.1678 27 I 3.8066 7.9881 121.2889 63.9069 37.9577 177.9137 28 E 4.0318 8.0362 119.0881 59.0605 29.1114 179.0461 29 I 3.6401 7.6810 119.5251 64.3885 37.2109 177.8180 30 Q 3.4604 7.9633 120.0979 59.1556 28.8600 178.6039 31 K 4.2588 8.5428 119.9918 59.6414 31.8910 179.4205 32 S 4.1283 7.9439 113.4233 61.1851 62.7222 175.6825 33 H 4.5372 7.3785 117.0699 57.9411 29.3338 177.1570 34 L 4.2642 7.8299 119.2428 55.7400 41.4943 177.1172 35 G 4.3754 9.0038 110.0965 45.1539 0.0000 173.8618 36 E 4.5245 7.6142 123.1615 53.3515 30.7335 172.3735 37 L 3.1285 8.1634 125.7267 54.7069 42.4034 175.6699 38 V 3.9767 8.2614 127.2521 64.4082 32.3234 175.8893 39 G 3.9282 7.2482 105.0614 45.3439 0.0000 171.2566 40 Y 4.6574 7.0585 121.9177 55.9995 41.3424 173.9958 41 F 5.4222 9.4239 125.5440 55.7124 43.5838 173.9996 42 F 5.6529 8.3692 114.3226 54.8247 41.1439 174.5553 43 S 4.1877 8.7533 116.0289 59.9325 62.8790 173.3918 44 E 4.4933 8.8526 122.0844 57.1849 31.7873 175.4861 45 I 4.5762 8.0708 117.0015 59.2351 41.0710 173.6806 46 G 3.8781 9.0007 112.2488 43.3200 0.0000 171.6716 47 P 4.2790 0.0000 0.0000 63.0778 31.9008 175.8808 48 I 4.3069 8.1275 122.7899 61.1976 38.9005 174.8431 49 N 4.3066 8.6872 117.2332 54.4201 36.0389 173.0341 50 E 5.2113 8.4463 119.0985 54.6791 32.2322 174.4622 51 I 5.1836 8.6768 126.5060 59.5210 40.6379 174.6456 52 V 4.8897 8.8249 125.9728 61.3068 34.4392 173.9153 53 H 5.1493 8.9576 122.5425 53.7524 32.2746 172.3019 54 I 5.8881 8.3243 120.1700 59.6515 40.7830 174.4869 55 W 5.2045 9.0136 125.0555 54.7418 32.6489 174.3430 56 A 5.0961 8.4842 125.2348 50.2591 20.6185 176.1712 57 F 5.0065 8.2697 118.6334 55.6700 42.4423 175.5846 58 S 4.3560 9.1693 117.2920 61.1052 63.5268 174.5818 59 S 4.6421 7.5688 113.8852 56.2754 66.5206 175.1934 60 L 3.6584 7.7121 122.0003 57.4534 41.3647 179.4153 61 D 4.2128 7.8126 118.7964 57.2571 40.7112 178.0722 62 D 4.2459 7.9872 118.5366 57.0376 41.1658 177.8509 63 R 3.0181 7.8577 119.2718 59.3118 29.8165 178.0586 64 A 3.8058 7.8436 120.2382 55.2765 18.3403 179.5047 65 E 3.8587 8.1194 116.8964 59.5733 29.5512 179.8685 66 R 3.8924 8.1945 118.4299 59.3779 29.9260 179.4172 67 R 3.7654 7.9767 116.9155 58.8928 30.0327 178.6348 68 A 4.0806 7.7977 120.0301 55.2422 18.4474 179.6106 69 R 3.9987 7.6631 115.5720 58.9403 30.3475 179.6000 70 L 3.3801 7.5389 117.1264 55.4667 41.7465 178.2334 *72 A 4.2513 7.9549 120.3156 51.0879 20.6184 177.6779 73 D 4.5442 7.8955 116.7485 53.1879 42.0325 175.0087 74 P 4.3582 0.0000 0.0000 66.0760 31.2709 178.6658 75 R 4.0304 8.8545 118.5955 58.8013 29.9172 178.7201 76 W 4.4479 8.2937 127.8195 60.6369 30.6583 177.9474 77 L 3.9645 8.0652 117.7978 57.8753 41.0731 179.3731 78 S 4.2778 8.0171 114.3941 60.9766 62.9899 176.1240 79 F 4.1970 7.9974 123.4729 60.9731 39.1366 176.9886 80 L 3.2661 7.4977 118.6878 57.4633 41.1996 177.8046 81 P 4.1220 0.0000 0.0000 65.2415 31.2544 178.1576 82 K 4.0324 7.6414 116.3463 57.6264 32.2838 177.3859 83 I 4.4588 6.8798 110.2377 60.0938 39.2513 177.2858 84 R 3.7826 7.8851 121.4087 59.0030 29.8451 176.6358 85 D 4.7220 7.7806 114.4234 54.2983 41.7954 177.1199 86 L 4.1958 7.8217 120.0998 56.6269 42.1095 176.8326 87 I 4.3339 7.5673 119.5195 60.6830 38.0530 174.9164 88 E 4.4756 9.3063 126.0183 58.0664 30.8349 176.6802 89 V 4.7172 7.6105 117.5065 59.9525 35.0081 173.9548 90 A 5.5136 8.5242 123.0694 50.8848 22.4010 174.8726 91 E 4.9806 9.4187 117.0987 55.0925 33.5140 173.7234 92 N 6.3000 8.6916 117.1377 51.4783 40.7454 173.3122 93 K 4.7858 8.5690 117.5047 55.7872 35.8998 175.0042 94 I 5.0786 8.2554 121.2872 59.6870 40.1717 175.1171 *96 K 4.1094 8.3651 122.0292 55.5751 32.9989 174.1677 97 P 4.2468 0.0000 0.0000 61.8123 32.4814 176.2432 98 A 3.9454 7.9443 123.8436 51.7721 18.8747 178.6187 99 R 3.8122 8.1818 118.7654 58.6940 30.1809 178.0094 100 F 4.7784 6.9517 110.1190 56.2515 38.1150 175.4197 101 S 4.2148 7.5991 117.8872 57.6426 62.5590 173.4544 102 P 4.3220 0.0000 0.0000 64.8743 31.5209 176.3403 103 L 4.2734 7.0772 119.2333 54.7794 41.5903 176.2439 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 -5 H 8.43 4.78 0.00 3.27 3.46 0.00 5.44 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 7.40 4.69 0.00 3.16 3.11 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.74 4.38 0.00 3.24 3.36 0.00 5.63 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 *-2 H 9.10 4.12 0.00 2.83 3.08 0.00 7.24 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-1 H 8.26 5.15 0.00 2.82 2.97 0.00 7.26 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.99 4.53 0.00 3.29 3.26 0.00 5.65 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 F 8.62 4.27 0.00 3.09 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 *-2 Y 8.80 3.94 0.00 2.57 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 *-1 E 8.26 4.77 0.00 1.59 1.77 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 2.26 1.81 0.00 0 I 7.57 3.97 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.08 0.91 0.00 0.00 6 R 8.94 5.04 0.00 1.19 1.62 0.00 3.27 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 7 T 9.01 4.94 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 1.24 0.00 0.00 8 Y 8.96 5.42 0.00 2.74 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 9 R 9.16 4.83 0.00 1.89 1.83 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 10 L 8.85 4.88 0.00 1.51 1.65 0.68 0.69 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 11 K 8.71 4.16 0.00 1.85 1.73 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.33 7.81 12 N 8.81 4.61 0.00 2.71 2.75 0.00 0.00 7.24 7.98 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 13 G 9.34 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 14 A 8.03 4.38 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 15 I 7.69 3.68 1.88 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 1.68 1.04 0.75 0.00 0.00 16 P 0.00 4.15 0.00 2.14 2.07 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 17 A 7.98 3.99 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 18 Y 8.37 3.96 0.00 3.11 3.23 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 19 L 8.49 3.98 0.00 1.64 1.64 0.42 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.23 3.89 0.00 1.87 1.93 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 21 V 7.72 3.67 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 0.73 0.00 0.00 1.04 0.00 0.00 22 V 7.88 3.55 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 0.74 0.00 0.00 0.56 0.00 0.00 23 E 7.87 3.77 0.00 1.96 2.03 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 2.27 2.28 0.00 24 D 8.16 4.52 0.00 2.74 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 25 E 8.36 4.63 0.00 2.24 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 2.26 2.26 0.00 26 G 7.55 2.99 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 0.00 0.00 0.00 27 I 7.99 3.81 1.81 0.00 0.00 1.00 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 1.43 0.82 0.00 0.00 28 E 8.04 4.03 0.00 1.99 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 2.31 0.00 29 I 7.68 3.64 2.16 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 1.59 1.18 1.09 0.00 0.00 30 Q 7.96 3.46 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 31 K 8.54 4.26 0.00 2.06 1.93 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.79 7.81 32 S 7.94 4.13 0.00 3.94 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 33 H 7.38 4.54 0.00 2.99 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.83 4.26 0.00 1.21 1.48 -0.39 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.00 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 36 E 7.61 4.52 0.00 1.93 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 2.15 2.21 0.00 37 L 8.16 3.13 0.00 0.82 1.22 -0.16 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.26 3.98 2.19 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 0.89 0.00 0.00 1.01 0.00 0.00 39 G 7.25 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 40 Y 7.06 4.66 0.00 2.70 2.55 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 41 F 9.42 5.42 0.00 2.91 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 42 F 8.37 5.65 0.00 3.09 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 43 S 8.75 4.19 0.00 3.93 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 44 E 8.85 4.49 0.00 1.74 1.79 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 2.14 2.34 0.00 45 I 8.07 4.58 1.85 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 1.34 0.77 0.90 0.00 0.00 46 G 9.00 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 47 P 0.00 4.28 0.00 2.15 2.03 0.00 3.67 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 2.12 2.13 0.00 48 I 8.13 4.31 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.95 0.00 0.00 49 N 8.69 4.31 0.00 2.95 3.03 0.00 0.00 6.40 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 50 E 8.45 5.21 0.00 2.05 1.83 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 2.25 2.45 0.00 51 I 8.68 5.18 1.83 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.43 0.96 0.00 0.00 52 V 8.82 4.89 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 1.10 0.00 0.00 0.94 0.00 0.00 53 H 8.96 5.15 0.00 2.63 1.75 0.00 5.28 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.32 5.89 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 1.16 0.00 0.00 55 W 9.01 5.20 0.00 3.10 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 56 A 8.48 5.10 0.72 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 57 F 8.27 5.01 0.00 2.91 2.98 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 0.00 0.00 0.00 58 S 9.17 4.36 0.00 4.03 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 59 S 7.57 4.64 0.00 4.01 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 60 L 7.71 3.66 0.00 1.36 1.46 0.67 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.81 4.21 0.00 2.69 2.65 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 62 D 7.99 4.25 0.00 2.82 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 63 R 7.86 3.02 0.00 0.87 1.61 0.00 2.61 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 64 A 7.84 3.81 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 65 E 8.12 3.86 0.00 2.12 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 2.28 2.46 0.00 66 R 8.19 3.89 0.00 2.00 2.10 0.00 3.35 0.00 0.00 3.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 67 R 7.98 3.77 0.00 1.66 1.86 0.00 2.96 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 68 A 7.80 4.08 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 69 R 7.66 4.00 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 70 L 7.54 3.38 0.00 1.37 1.50 -0.26 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 7.95 4.25 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 73 D 7.90 4.54 0.00 2.89 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 74 P 0.00 4.36 0.00 2.34 2.34 0.00 3.80 0.00 0.00 3.95 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 75 R 8.85 4.03 0.00 2.06 2.12 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 76 W 8.29 4.45 0.00 3.38 3.35 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 0.00 0.00 0.00 0.00 77 L 8.07 3.96 0.00 1.84 1.73 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.02 4.28 0.00 4.05 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 79 F 8.00 4.20 0.00 3.09 2.98 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 0.00 0.00 0.00 80 L 7.50 3.27 0.00 1.43 1.45 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.12 0.00 1.87 2.02 0.00 3.55 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 82 K 7.64 4.03 0.00 1.16 1.62 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.27 7.81 83 I 6.88 4.46 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.64 0.60 0.00 0.00 84 R 7.89 3.78 0.00 1.82 1.89 0.00 3.16 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 85 D 7.78 4.72 0.00 2.66 2.65 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 86 L 7.82 4.20 0.00 1.99 1.81 1.10 0.80 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 87 I 7.57 4.33 1.72 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.64 0.00 0.00 88 E 9.31 4.48 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 2.27 2.31 0.00 89 V 7.61 4.72 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 0.94 0.00 0.00 0.96 0.00 0.00 90 A 8.52 5.51 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 91 E 9.42 4.98 0.00 2.05 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 2.25 2.31 0.00 92 N 8.69 6.30 0.00 2.75 2.86 0.00 0.00 5.83 7.13 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 93 K 8.57 4.79 0.00 1.77 1.80 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.53 7.81 94 I 8.26 5.08 1.96 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 1.39 0.92 1.14 0.00 0.00 *96 K 8.37 4.11 0.00 1.66 1.51 0.00 1.60 0.00 0.00 1.21 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.42 7.81 97 P 0.00 4.25 0.00 2.08 2.01 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 98 A 7.94 3.95 0.37 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 99 R 8.18 3.81 0.00 1.83 1.93 0.00 3.11 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.48 0.00 100 F 6.95 4.78 0.00 3.11 3.13 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 0.00 101 S 7.60 4.21 0.00 3.63 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 0.00 102 P 0.00 4.32 0.00 2.07 2.10 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 103 L 7.08 4.27 0.00 1.43 1.31 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.