NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6550 8.3544 109.7387 45.1549 0.0000 173.6429 *2 K 3.9751 8.1145 128.6443 55.1226 32.9781 175.5244 3 R 4.2605 8.4736 126.2741 55.3428 30.6890 175.3470 4 P 4.4411 0.0000 0.0000 62.7098 32.7673 175.6892 5 G 4.1497 8.5665 108.5831 45.8006 0.0000 173.4009 6 A 4.1897 8.7264 126.8532 51.9942 19.4534 177.0189 7 I 4.2082 8.7122 122.9503 58.9493 39.0985 173.1037 8 P 4.0126 0.0000 0.0000 61.6971 32.3803 175.3795 9 T 4.3208 8.3170 121.8728 61.3173 70.9736 173.6229 10 V 4.0752 8.2533 127.4455 62.9569 31.4535 175.4065 11 Q 4.4412 9.3906 127.7246 57.2324 30.3837 176.5489 12 I 4.6093 7.4383 118.7860 59.7897 41.8675 174.4195 13 D 4.9670 8.7096 126.1383 52.9780 41.3434 173.0244 14 N 5.0694 8.7395 126.7561 51.5962 39.7530 174.8881 15 E 4.2066 8.9503 115.6936 59.1712 30.0350 177.5944 16 R 4.5972 7.9246 117.1990 56.9141 33.0523 176.5910 17 V 5.0809 8.5848 110.2070 59.4955 36.9027 174.5629 18 K 5.0343 9.1071 123.2587 54.7263 35.3153 174.8748 19 V 4.9780 9.0590 127.6468 61.4786 34.2392 174.1771 20 T 4.9212 8.9209 124.4663 61.5829 72.1635 172.7092 21 E 4.6182 9.0802 128.2031 55.5178 31.1975 174.9447 22 W 4.6913 9.0931 127.7746 54.8723 31.5346 174.9582 23 R 4.7967 8.5851 125.8665 54.6701 32.1846 174.1831 24 F 5.0917 9.7704 126.7498 55.3642 40.7515 174.4564 25 P 4.8380 0.0000 0.0000 61.4191 32.9114 174.1656 26 P 4.4832 0.0000 0.0000 63.7767 31.4580 177.1240 27 G 3.8960 8.7718 110.4416 45.7337 0.0000 173.6402 28 G 4.2557 8.2121 108.0128 45.7709 0.0000 172.7399 29 E 5.5751 8.9884 117.2342 54.9976 32.8828 176.3831 30 T 3.9078 8.8344 111.6750 62.5972 69.5564 176.4606 31 G 4.1737 8.2974 105.3249 44.6887 0.0000 172.9057 32 W 4.4954 8.5556 119.6463 57.0750 29.7723 175.3694 33 H 5.0459 9.3508 118.6250 54.6107 31.9763 171.9442 34 R 5.1058 8.5019 119.2444 54.8890 32.5218 174.6745 35 H 4.5101 9.3731 124.1729 54.9395 29.9027 175.4504 36 S 4.7105 8.5805 118.2953 58.9229 63.8957 173.5907 *38 D 4.9265 8.0389 119.5182 55.2684 42.4048 173.9712 39 Y 5.3956 8.7489 118.8031 55.8634 42.1099 173.5825 40 V 4.6154 8.9844 120.8043 61.1540 34.5935 174.3402 41 V 4.6606 8.2170 127.1274 60.9950 34.1424 174.3942 42 V 4.5104 8.8442 128.2726 60.6632 33.3471 173.5454 43 P 5.1089 0.0000 0.0000 62.5190 33.1818 175.2938 *45 T 4.1386 8.2410 115.3739 64.2705 69.4562 174.0164 46 T 4.5765 8.9082 121.4605 60.8922 69.9894 174.9016 47 G 4.4410 8.2306 116.9008 44.1931 0.0000 169.3733 48 P 4.9390 0.0000 0.0000 62.4243 32.3754 175.6912 49 L 4.5565 8.8510 121.8830 52.7430 45.4592 174.9689 50 L 4.7319 8.5410 124.5663 53.7522 43.9332 174.9629 51 L 4.8516 8.8970 127.0238 53.0476 44.1278 175.1114 52 E 5.0353 8.9031 124.5611 54.7974 31.7901 175.3890 53 T 5.2985 8.6540 113.8267 59.1835 72.5284 173.3304 54 P 4.3263 0.0000 0.0000 65.2981 31.3622 177.4192 55 E 4.2660 8.3252 115.2196 55.7581 29.9373 174.8273 56 G 4.0329 7.1887 105.5084 43.6291 0.0000 172.6100 57 S 5.4302 8.1744 115.2326 56.8743 65.6414 174.3952 58 V 4.4818 8.3783 121.0514 60.9571 35.0359 172.8691 59 T 4.6837 8.3318 118.7220 62.9019 69.7713 174.0481 60 S 4.5699 9.1511 121.3429 56.3987 64.8683 172.3287 61 Q 4.6003 8.5954 128.8002 55.2452 29.7680 174.5023 62 L 4.8876 9.0429 126.8440 53.4036 44.9861 175.4592 63 T 4.8461 8.2905 118.2226 61.3027 71.5236 173.6262 64 R 4.1335 8.9798 127.1034 58.3672 30.2851 176.7399 65 G 3.8421 9.3349 113.6263 45.4701 0.0000 173.4728 66 V 4.1373 7.5196 119.9900 60.7344 31.0094 175.3739 67 S 4.7998 8.3043 121.8674 58.8051 64.0813 172.4972 68 Y 4.9408 8.3096 118.1137 56.3976 41.7182 173.1408 69 T 4.9726 8.4597 113.1304 60.5545 70.8167 172.8246 70 R 4.6849 8.2362 123.8705 53.9463 34.9934 172.6975 71 P 5.0550 0.0000 0.0000 61.3170 33.6643 174.7905 72 E 3.9919 9.3551 122.2596 58.5134 29.8101 177.7624 73 G 3.9973 9.4539 114.1474 44.6707 0.0000 173.8009 74 V 3.6725 7.5223 120.2913 63.6946 32.5375 174.3257 75 E 5.3007 8.5022 127.8693 54.8994 32.0567 174.0640 76 H 4.2579 8.9131 120.6228 54.9068 32.6373 171.8282 77 N 4.8307 7.3453 118.1381 51.4803 41.3752 173.1736 78 V 4.6692 8.2970 125.3880 61.0711 34.3865 174.1362 79 I 4.9434 8.5376 128.1529 59.5186 41.0143 174.2543 80 N 4.7474 9.2132 126.3569 51.4508 39.1202 173.6328 81 P 4.4541 0.0000 0.0000 63.9803 31.7258 176.7348 82 S 4.6314 8.0754 116.6157 57.5614 64.1056 174.1165 83 D 4.7783 8.5201 119.8934 53.9706 39.5015 175.5566 84 T 4.8138 7.3617 109.0049 59.4540 72.2046 173.0991 85 E 4.5041 8.8278 122.6164 56.5558 30.6918 175.5383 86 F 4.7733 9.3621 126.7771 56.3805 42.8060 173.6523 87 V 5.2863 8.0239 125.3381 61.2404 34.3578 174.3732 88 F 5.3501 8.9666 121.0440 55.5192 42.2083 173.0575 89 V 4.9387 9.0604 119.9573 61.2724 33.8535 173.7459 90 E 5.2471 9.6936 129.4216 54.7257 32.0889 174.4705 91 I 4.7718 9.3330 128.9872 59.8035 38.8783 174.3685 92 E 4.8729 9.3448 128.2997 55.7586 31.0449 175.9205 93 I 4.5989 8.4046 125.5404 59.6794 38.2533 176.0308 94 K 4.3440 8.9206 127.4277 55.5936 33.0765 177.4347 95 A 4.1573 8.4510 124.2843 52.6474 18.3517 177.6505 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 G 8.35 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 *2 K 8.11 3.98 0.00 1.75 1.83 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.55 7.81 3 R 8.47 4.26 0.00 1.93 1.99 0.00 3.46 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 4 P 0.00 4.44 0.00 2.14 2.20 0.00 3.88 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 5 G 8.57 4.15 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 0.00 0.00 0.00 6 A 8.73 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.71 4.21 1.74 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 0.76 0.00 0.00 8 P 0.00 4.01 0.00 1.17 0.49 0.00 3.41 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.44 0.00 9 T 8.32 4.32 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 1.11 0.00 0.00 10 V 8.25 4.08 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 0.78 0.00 0.00 0.82 0.00 0.00 11 Q 9.39 4.44 0.00 1.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.35 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 12 I 7.44 4.61 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.56 0.92 0.00 0.00 13 D 8.71 4.97 0.00 2.56 2.52 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 14 N 8.74 5.07 0.00 2.94 2.90 0.00 0.00 6.76 7.09 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 15 E 8.95 4.21 0.00 1.97 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 2.32 2.40 0.00 16 R 7.92 4.60 0.00 1.85 1.94 0.00 3.24 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 17 V 8.58 5.08 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 0.80 0.00 0.00 0.95 0.00 0.00 18 K 9.11 5.03 0.00 1.80 1.64 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.35 7.81 19 V 9.06 4.98 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 1.01 0.00 0.00 0.96 0.00 0.00 20 T 8.92 4.92 4.30 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 0.57 0.00 0.00 21 E 9.08 4.62 0.00 1.97 1.69 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 2.22 2.27 0.00 22 W 9.09 4.69 0.00 2.34 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.59 4.80 0.00 1.83 1.70 0.00 3.04 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 24 F 9.77 5.09 0.00 3.17 3.03 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 0.00 0.00 0.00 25 P 0.00 4.84 0.00 2.13 2.02 0.00 3.69 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 26 P 0.00 4.48 0.00 2.08 2.16 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 27 G 8.77 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 0.00 0.00 0.00 28 G 8.21 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 0.00 0.00 0.00 0.00 29 E 8.99 5.58 0.00 2.12 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 2.23 2.28 0.00 30 T 8.83 3.91 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 0.77 0.00 0.00 31 G 8.30 4.17 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 0.00 32 W 8.56 4.50 0.00 3.22 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 33 H 9.35 5.05 0.00 3.15 3.38 0.00 5.21 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.50 5.11 0.00 1.88 1.87 0.00 3.27 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 35 H 9.37 4.51 0.00 3.29 3.31 0.00 5.66 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 36 S 8.58 4.71 0.00 3.90 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 *38 D 8.04 4.93 0.00 2.70 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 0.00 39 Y 8.75 5.40 0.00 3.10 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 40 V 8.98 4.62 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 0.93 0.00 0.00 0.92 0.00 0.00 41 V 8.22 4.66 0.67 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 0.45 0.00 0.00 0.66 0.00 0.00 42 V 8.84 4.51 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 1.03 0.00 0.00 0.94 0.00 0.00 43 P 0.00 5.11 0.00 2.39 2.22 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 *45 T 8.24 4.14 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 0.88 0.00 0.00 46 T 8.91 4.58 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 47 G 8.23 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 0.00 0.00 0.00 0.00 48 P 0.00 4.94 0.00 2.00 2.01 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 49 L 8.85 4.56 0.00 1.22 1.20 0.59 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.54 4.73 0.00 1.64 1.42 0.87 0.46 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 51 L 8.90 4.85 0.00 1.48 1.44 0.83 0.53 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 52 E 8.90 5.04 0.00 1.43 1.88 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 2.19 2.08 0.00 53 T 8.65 5.30 4.33 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 1.20 0.00 0.00 54 P 0.00 4.33 0.00 2.12 2.19 0.00 3.81 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 55 E 8.33 4.27 0.00 2.24 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 2.29 2.12 0.00 56 G 7.19 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.17 5.43 0.00 3.73 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 58 V 8.38 4.48 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 0.72 0.00 0.00 0.89 0.00 0.00 59 T 8.33 4.68 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 1.14 0.00 0.00 60 S 9.15 4.57 0.00 3.67 3.52 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 61 Q 8.60 4.60 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 62 L 9.04 4.89 0.00 2.12 1.81 0.82 0.55 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 63 T 8.29 4.85 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 1.23 0.00 0.00 64 R 8.98 4.13 0.00 1.76 1.88 0.00 3.26 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 65 G 9.33 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 66 V 7.52 4.14 2.26 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 0.89 0.00 0.00 1.01 0.00 0.00 67 S 8.30 4.80 0.00 3.95 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 68 Y 8.31 4.94 0.00 2.95 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 69 T 8.46 4.97 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 1.18 0.00 0.00 70 R 8.24 4.68 0.00 0.67 1.38 0.00 3.24 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 71 P 0.00 5.05 0.00 2.12 2.14 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 72 E 9.36 3.99 0.00 2.04 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 2.39 2.48 0.00 73 G 9.45 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 0.00 0.00 0.00 74 V 7.52 3.67 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 0.67 0.00 0.00 0.99 0.00 0.00 75 E 8.50 5.30 0.00 2.05 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 0.00 2.52 2.63 0.00 76 H 8.91 4.26 0.00 2.98 3.19 0.00 5.29 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 7.35 4.83 0.00 1.44 1.89 0.00 0.00 7.03 7.27 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 78 V 8.30 4.67 2.13 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 0.86 0.00 0.00 0.56 0.00 0.00 79 I 8.54 4.94 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.61 0.88 0.00 0.00 80 N 9.21 4.75 0.00 2.40 2.79 0.00 0.00 6.76 7.52 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 81 P 0.00 4.45 0.00 2.18 2.09 0.00 3.68 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 1.90 1.87 0.00 82 S 8.08 4.63 0.00 4.14 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 83 D 8.52 4.78 0.00 2.78 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 84 T 7.36 4.81 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 1.24 0.00 0.00 85 E 8.83 4.50 0.00 2.05 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 2.55 0.00 86 F 9.36 4.77 0.00 3.23 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 87 V 8.02 5.29 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 0.94 0.00 0.00 0.95 0.00 0.00 88 F 8.97 5.35 0.00 3.33 3.32 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 89 V 9.06 4.94 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 0.95 0.00 0.00 1.00 0.00 0.00 90 E 9.69 5.25 0.00 2.56 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 2.29 2.54 0.00 91 I 9.33 4.77 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.96 0.00 0.00 92 E 9.34 4.87 0.00 1.96 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 0.00 2.36 2.37 0.00 93 I 8.40 4.60 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.94 0.00 0.00 94 K 8.92 4.34 0.00 1.85 1.76 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.53 7.81 95 A 8.45 4.16 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 * Residues marked with a * may have inaccurate shift predictions.