NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3517 8.3349 115.4124 58.2832 63.8724 173.0772 *2 Q 4.3855 8.4765 124.8887 55.7575 30.5579 177.5171 3 I 3.8550 7.6580 116.9356 63.2258 38.4374 177.2033 4 E 3.9820 8.3908 119.7993 59.4067 29.5013 178.7404 5 K 3.8261 7.7086 119.0448 58.9658 32.1191 177.0523 6 L 4.4749 7.8798 116.1031 54.2602 42.5910 176.7585 7 R 3.8510 7.6127 119.8794 55.8989 30.3712 176.0582 8 G 3.8911 8.2208 111.8918 44.6514 0.0000 172.6138 9 A 3.9280 8.0695 119.7886 55.1778 18.1703 179.7463 10 A 3.8854 7.8455 118.6929 55.2003 18.5890 179.4937 11 L 3.6154 7.7169 118.3958 58.2121 42.1469 178.5079 12 D 4.4478 8.2583 119.1103 57.5445 40.6826 178.5999 13 E 3.9136 8.1830 119.6713 58.9698 29.6419 178.5200 14 L 3.9282 7.7985 120.4389 58.2975 42.1332 179.1151 15 F 4.6682 7.9159 117.6448 60.7742 38.6339 177.4198 16 D 4.4014 8.4416 117.8321 57.1817 40.9719 178.4347 17 A 4.0049 8.3580 121.6384 55.3343 18.5059 179.7524 18 I 3.4854 7.7987 118.1956 64.4969 36.9293 178.7207 19 L 4.0946 7.9358 119.1887 57.5739 41.4903 179.0894 20 T 4.0426 7.4502 108.1900 62.5289 69.1950 175.0422 21 L 4.0718 7.2102 122.7052 55.0160 42.0359 176.6194 22 E 4.5682 9.3460 122.2595 56.6148 31.4813 175.7215 23 N 4.9746 7.5666 115.2083 50.5611 41.5596 175.0921 24 R 4.0120 8.5424 119.7574 59.5946 30.0932 177.8608 25 E 4.2038 8.3567 118.7550 59.1636 29.6459 178.2820 26 E 4.2043 8.9509 119.1422 59.6326 29.4274 179.1493 27 C 4.4523 8.0811 116.4615 63.0750 28.2539 175.5271 28 Y 4.0552 8.3440 118.3037 61.3783 37.6373 179.0333 29 Q 4.0963 8.5345 118.8329 58.8908 28.7632 178.6716 30 F 4.0930 8.6162 121.9202 61.5069 39.5053 177.3699 31 F 3.8404 8.6764 117.5838 60.0196 38.4274 177.2936 32 D 4.3522 8.1174 117.5118 57.2739 41.0695 177.7755 33 D 4.3983 7.6394 118.1474 57.3541 40.9597 178.2417 34 L 3.8712 7.5136 119.6656 56.4671 42.2675 176.4726 35 C 5.0711 7.3574 114.2466 57.3607 31.7872 174.2816 36 T 4.2722 8.6119 112.7016 61.0438 70.6176 176.0141 37 V 3.5956 8.2568 120.6641 66.4359 31.4980 177.8039 38 N 4.3360 8.1327 115.5547 56.2615 38.3941 177.1079 39 E 3.9339 8.2410 119.8936 59.5273 29.5495 179.4421 40 I 3.6311 7.7562 119.7589 64.3933 37.0778 178.1967 41 Q 3.9321 8.3801 120.6856 59.3174 28.8459 178.6624 42 S 4.1048 8.0265 115.9870 61.6255 63.0197 176.6351 43 L 3.9956 7.8583 121.6433 57.7844 41.3381 179.5608 44 S 4.0426 8.2466 113.1465 61.5244 62.3091 176.0916 45 Q 4.0019 8.2901 120.9241 59.1505 28.4089 179.2743 46 R 3.9093 8.1327 118.9144 59.1935 30.0848 178.9306 47 L 4.0255 7.8831 119.6564 58.1758 41.8765 178.8606 48 Q 3.9778 7.8545 117.1122 58.9242 28.7219 178.8471 49 V 3.6866 7.7173 117.7955 65.9775 31.9026 177.4540 50 A 3.9211 7.7940 120.4652 54.9068 17.9240 179.8727 51 K 3.6457 8.0589 114.2116 57.7726 32.0508 178.2714 *53 I 4.0719 7.6404 119.8396 61.0488 39.1003 178.2306 54 K 4.0489 7.9524 119.4557 59.3943 31.9754 179.2880 55 Q 3.9050 8.2005 117.1077 57.4061 28.7092 177.0392 56 G 3.8001 7.8425 105.9207 45.6261 0.0000 173.1315 57 Y 4.3647 7.5124 116.1539 56.7637 39.1060 176.4060 58 T 3.8621 8.2545 113.4248 61.9518 70.9627 175.2333 59 Y 4.2545 8.1982 119.9315 61.0341 37.4567 178.6435 60 A 4.0480 8.1135 121.4866 55.6772 18.5081 179.7004 61 T 3.8523 7.7652 114.1521 66.6493 68.4667 177.0605 62 I 3.6259 7.9479 121.8284 64.3270 37.0105 178.0212 63 E 4.1056 8.1890 119.3817 59.7312 29.1434 179.4403 64 Q 3.9317 7.4927 117.1087 59.2336 29.2348 177.5634 65 E 4.1354 8.1470 118.6216 58.5065 29.7913 178.4108 66 S 4.4789 8.1767 112.7055 57.8851 63.7144 175.3038 67 G 3.8364 7.6647 109.2869 45.8001 0.0000 173.6107 68 A 4.1440 7.7164 122.5944 51.4260 19.1255 179.0522 69 S 4.4448 8.3294 116.4547 58.2441 65.4014 175.7928 70 T 3.8648 8.3427 118.5191 66.6246 68.1504 176.8874 71 A 3.9706 7.9011 122.3673 55.3100 18.3791 179.7524 72 T 3.8203 7.7859 114.2353 66.8600 68.5203 177.0552 73 I 3.6788 7.7912 121.6989 64.3978 37.0952 178.6005 74 S 3.9842 8.1316 115.9191 61.7263 62.7364 176.9326 75 R 3.9368 7.8842 120.5911 59.3969 29.8427 179.3974 76 V 3.6902 8.0561 118.0697 65.6796 31.5692 177.9780 77 K 3.9172 8.3644 118.8288 59.7110 31.9797 179.1266 78 R 3.9696 8.0436 118.5791 59.6593 30.0415 178.7248 79 S 4.3809 8.3110 114.9622 61.6574 62.5981 176.7199 80 L 4.2063 8.0632 120.9758 57.4862 41.3983 179.0769 81 Q 4.3462 7.9416 116.5934 57.2439 29.9353 177.2386 82 W 4.7379 8.7778 118.2102 56.0413 30.1537 174.6794 83 G 4.3692 7.5180 109.2143 44.1686 0.0000 172.6262 84 N 4.6088 8.8308 119.2741 52.5083 38.8734 174.9694 85 D 4.6318 8.0699 116.7700 55.2027 38.6755 175.6856 86 A 3.8615 7.4125 124.6250 55.2319 18.8932 179.6677 87 Y 4.4066 8.0694 113.4165 61.8710 38.1106 179.8974 88 T 4.1629 7.5421 113.4905 64.2754 67.7480 176.1806 *90 I 4.0886 7.8893 124.4761 61.4683 39.3715 178.0279 91 L 4.0953 8.3001 120.3263 57.9783 41.6909 179.2988 92 D 4.4299 8.3081 117.6393 57.5098 40.7722 179.4478 93 R 4.0584 7.3298 116.5804 56.0884 29.3098 176.4392 *95 N 4.4871 7.9760 112.4271 53.3665 39.9533 174.3946 96 I 4.0647 7.5176 118.5368 60.3828 38.0207 177.1359 97 E 4.1621 8.7029 125.7224 56.6337 27.6814 175.2297 98 T 4.5399 8.0483 113.1665 59.9533 70.6328 175.2536 99 N 4.5461 8.7061 122.1473 53.3817 39.0156 174.2370 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 0 S 8.33 4.35 0.00 4.03 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 *2 Q 8.48 4.39 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 3 I 7.66 3.85 1.93 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 1.52 1.69 0.97 0.00 0.00 4 E 8.39 3.98 0.00 2.06 2.02 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 2.43 2.28 0.00 5 K 7.71 3.83 0.00 1.68 2.02 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.45 7.81 6 L 7.88 4.47 0.00 1.78 1.67 0.93 0.80 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 7 R 7.61 3.85 0.00 1.77 1.88 0.00 3.40 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 8 G 8.22 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 9 A 8.07 3.93 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 10 A 7.85 3.89 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 11 L 7.72 3.62 0.00 1.62 1.56 0.14 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.26 4.45 0.00 2.89 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 13 E 8.18 3.91 0.00 2.16 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 2.29 2.30 0.00 14 L 7.80 3.93 0.00 1.69 1.44 1.03 0.72 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 15 F 7.92 4.67 0.00 3.13 2.96 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 16 D 8.44 4.40 0.00 2.77 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 17 A 8.36 4.00 1.24 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 0.00 0.00 18 I 7.80 3.49 2.16 0.00 0.00 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 1.70 1.18 1.08 0.00 0.00 19 L 7.94 4.09 0.00 1.79 1.73 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.45 4.04 4.18 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 1.20 0.00 0.00 21 L 7.21 4.07 0.00 1.78 1.67 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 22 E 9.35 4.57 0.00 2.02 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 2.24 2.41 0.00 23 N 7.57 4.97 0.00 2.98 2.91 0.00 0.00 5.92 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 24 R 8.54 4.01 0.00 1.99 2.08 0.00 3.31 0.00 0.00 3.51 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.82 0.00 25 E 8.36 4.20 0.00 2.16 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 2.38 2.51 0.00 26 E 8.95 4.20 0.00 2.25 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 2.37 2.59 0.00 27 C 8.08 4.45 0.00 3.30 3.20 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 28 Y 8.34 4.06 0.00 3.31 3.09 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 29 Q 8.53 4.10 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 30 F 8.62 4.09 0.00 3.04 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 31 F 8.68 3.84 0.00 3.23 3.06 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 32 D 8.12 4.35 0.00 2.85 2.92 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 33 D 7.64 4.40 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.51 3.87 0.00 0.62 1.18 0.74 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.36 5.07 0.00 3.19 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 36 T 8.61 4.27 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 37 V 8.26 3.60 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 1.16 0.00 0.00 0.95 0.00 0.00 38 N 8.13 4.34 0.00 2.77 2.85 0.00 0.00 7.12 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 39 E 8.24 3.93 0.00 2.20 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 2.36 0.00 40 I 7.76 3.63 1.86 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 0.73 0.82 0.00 0.00 41 Q 8.38 3.93 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 42 S 8.03 4.10 0.00 4.10 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 43 L 7.86 4.00 0.00 1.74 1.65 0.86 0.69 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 44 S 8.25 4.04 0.00 3.82 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 45 Q 8.29 4.00 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 46 R 8.13 3.91 0.00 2.10 2.11 0.00 3.18 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 1.69 1.85 0.00 47 L 7.88 4.03 0.00 1.89 1.82 1.10 0.70 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 48 Q 7.85 3.98 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 49 V 7.72 3.69 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 0.80 0.00 0.00 0.95 0.00 0.00 50 A 7.79 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.06 3.65 0.00 1.86 1.95 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.62 1.51 7.81 *53 I 7.64 4.07 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 1.56 1.10 0.95 0.00 0.00 54 K 7.95 4.05 0.00 2.05 1.85 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.54 7.81 55 Q 8.20 3.90 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.05 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 56 G 7.84 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 57 Y 7.51 4.36 0.00 2.96 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 58 T 8.25 3.86 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 1.18 0.00 0.00 59 Y 8.20 4.25 0.00 3.04 2.97 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 60 A 8.11 4.05 1.35 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 0.00 0.00 61 T 7.77 3.85 4.43 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 1.05 0.00 0.00 62 I 7.95 3.63 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.95 0.94 0.00 0.00 63 E 8.19 4.11 0.00 2.25 2.02 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 2.35 2.56 0.00 64 Q 7.49 3.93 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 65 E 8.15 4.14 0.00 1.82 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 2.31 2.22 0.00 66 S 8.18 4.48 0.00 4.00 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 67 G 7.66 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 0.00 0.00 0.00 68 A 7.72 4.14 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 69 S 8.33 4.44 0.00 4.05 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 70 T 8.34 3.86 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 1.16 0.00 0.00 71 A 7.90 3.97 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 72 T 7.79 3.82 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 1.22 0.00 0.00 73 I 7.79 3.68 1.95 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 1.54 0.85 0.88 0.00 0.00 74 S 8.13 3.98 0.00 4.02 3.85 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 75 R 7.88 3.94 0.00 2.04 2.01 0.00 3.13 0.00 0.00 3.11 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 76 V 8.06 3.69 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 0.88 0.00 0.00 1.06 0.00 0.00 77 K 8.36 3.92 0.00 2.01 1.84 0.00 1.46 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.44 7.81 78 R 8.04 3.97 0.00 2.03 2.15 0.00 3.16 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 79 S 8.31 4.38 0.00 4.30 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 80 L 8.06 4.21 0.00 1.86 1.80 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.94 4.35 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.39 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 82 W 8.78 4.74 0.00 3.28 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 83 G 7.52 4.37 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 0.00 84 N 8.83 4.61 0.00 2.70 2.79 0.00 0.00 6.91 8.08 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 85 D 8.07 4.63 0.00 2.83 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 86 A 7.41 3.86 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 87 Y 8.07 4.41 0.00 3.05 2.92 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 88 T 7.54 4.16 4.45 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 1.27 0.00 0.00 *90 I 7.89 4.09 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.37 0.92 0.00 0.00 91 L 8.30 4.10 0.00 1.80 1.75 0.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.31 4.43 0.00 2.74 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 93 R 7.33 4.06 0.00 2.02 1.96 0.00 3.18 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 *95 N 7.98 4.49 0.00 2.71 2.84 0.00 0.00 7.23 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 96 I 7.52 4.06 1.89 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 1.43 0.96 0.93 0.00 0.00 97 E 8.70 4.16 0.00 1.95 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 2.32 2.24 0.00 98 T 8.05 4.54 4.36 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 1.27 0.00 0.00 99 N 8.71 4.55 0.00 2.59 2.64 0.00 0.00 6.88 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 * Residues marked with a * may have inaccurate shift predictions.