NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2696 8.3344 115.3984 57.5672 64.2991 173.3476 5 L 3.9578 8.1841 125.9756 53.3211 42.5599 174.8113 6 K 4.5263 9.2685 120.2120 56.7994 35.4063 175.9767 7 K 4.4063 8.7005 117.6204 53.2762 32.7844 176.1112 8 G 3.9668 7.2738 109.2635 44.5602 0.0000 172.1019 9 V 4.3956 8.3698 120.9085 64.5289 32.3146 176.2800 10 F 4.0481 8.2297 110.7240 57.1010 36.9116 175.8522 11 V 3.5770 7.5965 126.2266 61.8192 31.3341 175.2421 12 D 4.3812 8.4919 124.5446 54.0165 41.0612 177.0092 13 D 4.3676 8.5438 121.6928 58.1415 41.3662 178.5578 14 H 4.1146 8.4214 115.1489 59.3505 28.1306 176.3438 15 L 3.9496 7.4950 123.3161 58.6203 41.6851 178.5145 16 L 3.9561 8.0362 118.3766 57.1491 41.6659 179.6185 17 E 3.7893 8.2285 118.7470 59.6379 30.3112 178.6837 18 K 4.1565 8.3991 120.9026 56.9277 31.6910 178.8817 19 V 3.3838 7.0520 120.6719 66.1223 32.4802 177.6106 20 L 4.0962 8.7691 120.0490 58.2623 41.6891 179.6234 21 E 3.9894 7.8195 116.4844 59.4203 29.4806 178.9845 22 L 5.0184 7.7290 120.7510 56.9122 41.5476 178.9149 23 N 4.8648 8.2866 116.5099 54.5421 38.4769 174.3346 24 A 4.1163 7.4415 122.4644 53.4573 17.3342 177.5270 25 K 3.9431 8.6835 120.6823 56.0375 29.8500 175.8497 26 G 3.7574 7.5339 110.1387 45.2924 0.0000 173.7575 27 E 4.3722 9.0242 126.8413 55.2259 32.2647 178.3400 28 K 4.0006 9.1416 119.3870 58.6110 30.8925 176.8884 29 R 4.3382 9.1193 126.2612 57.5264 33.1163 174.7240 30 L 3.8259 8.1648 126.8654 54.7271 41.3239 175.6165 31 I 4.4029 7.7282 125.4730 58.3509 39.8962 174.6675 32 K 4.3263 8.5190 128.3326 56.7952 32.9920 175.2592 33 T 4.2481 7.2317 113.7131 62.2181 70.4442 173.4580 34 W 5.1488 8.9651 119.8030 57.0014 32.4720 176.1329 35 S 4.9025 8.4490 115.6366 57.2909 61.9218 176.0022 36 R 4.0834 7.9818 116.9045 59.5976 29.7150 177.1643 37 R 4.6035 7.9592 114.7348 56.6704 30.3269 175.9894 38 S 4.8349 7.5395 115.8748 58.1921 65.0739 172.7851 39 T 4.6145 7.8031 114.6582 62.6307 72.2288 174.1221 40 I 4.2304 7.3146 124.5359 59.2317 36.2064 175.9737 41 V 3.6630 7.6007 122.8191 61.6049 32.0361 173.8050 42 P 4.2161 0.0000 0.0000 63.6264 31.5363 176.5371 43 E 4.0552 8.7898 118.3461 56.8399 29.1624 175.1572 44 M 4.2012 7.7769 116.8711 57.7391 32.4018 176.5367 45 V 3.3517 7.2761 110.4134 62.1196 32.1937 174.1002 46 G 4.0998 8.2929 113.7081 46.0316 0.0000 173.6186 47 H 4.3433 7.7732 118.0132 55.3777 29.0624 175.1995 48 T 4.4544 8.4044 115.5405 61.3196 70.5546 173.6760 49 I 4.7433 8.3005 123.5050 59.5457 40.8360 175.1389 50 A 4.7689 8.3995 129.2160 50.7797 16.8570 176.7417 51 V 3.6832 7.6700 121.3927 62.3779 33.3596 174.2614 52 Y 4.8753 7.9423 129.2048 56.2228 39.2817 175.2693 53 N 4.5769 8.3633 124.0714 53.1557 37.5875 175.1181 54 G 4.0143 6.7220 107.5375 45.5501 0.0000 174.6211 55 K 4.1595 7.5321 117.8933 57.2214 33.7564 175.0774 56 Q 4.5836 8.4882 115.1044 55.2614 32.5999 172.1874 57 H 5.1144 8.6129 116.3260 55.4786 29.5791 175.6164 58 V 4.2088 8.7789 118.5215 58.8416 32.5199 175.7405 59 P 4.7320 0.0000 0.0000 63.0402 28.6626 174.3672 60 V 4.0747 8.2725 126.0366 61.5053 32.9944 176.2108 61 Y 4.6149 8.6462 126.9459 57.3327 40.1421 174.1791 62 I 4.1779 6.7840 122.9172 59.2619 40.5605 174.2418 63 T 4.7768 7.8435 121.7201 59.4332 70.4346 172.6252 64 E 3.6911 8.7719 118.7791 59.5367 29.4219 179.6050 65 N 3.9874 7.7546 118.0925 54.9113 39.1928 175.7805 66 M 4.5041 7.4406 124.1815 54.5036 29.9461 175.1562 67 V 4.2645 7.8197 116.1638 61.4808 34.8516 177.8152 68 G 3.8242 8.4405 116.1560 49.1087 0.0000 173.4362 69 H 4.3122 7.5982 115.7627 56.0845 29.2315 174.6724 70 K 4.6801 8.0546 120.4793 54.7888 34.2835 177.5924 71 L 4.1518 8.4155 118.4684 57.7379 41.8041 179.8712 72 G 3.7925 8.1162 106.2383 47.7419 0.0000 172.9346 73 E 4.3960 7.4004 119.9978 56.2541 29.6571 176.8117 74 F 4.7737 7.8427 109.8521 56.9593 42.4948 175.0036 75 A 4.5749 7.7258 123.8251 48.6509 19.2190 173.9937 76 P 4.3764 0.0000 0.0000 63.9671 31.6290 176.9830 77 T 4.4676 8.3434 107.1569 61.4016 70.1534 173.6224 78 R 4.7711 7.7105 119.5114 54.7396 34.1188 174.1548 79 T 4.5701 7.9581 114.6826 63.0710 72.0157 173.2045 80 Y 3.5112 8.6086 122.0305 58.7726 36.3109 168.6241 81 R 3.9451 7.4847 119.0187 55.9171 31.7014 177.7778 *82 G 3.7274 8.4271 106.7592 46.3166 0.0000 172.7755 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 S 8.33 4.27 0.00 3.97 3.91 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 5 L 8.18 3.96 0.00 1.51 1.64 1.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.27 4.53 0.00 1.84 1.84 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.29 1.36 7.81 7 K 8.70 4.41 0.00 1.70 1.76 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.47 7.81 8 G 7.27 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 0.00 0.00 0.00 9 V 8.37 4.40 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 0.93 0.00 0.00 0.95 0.00 0.00 10 F 8.23 4.05 0.00 3.33 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 3.58 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 0.62 0.00 0.00 0.81 0.00 0.00 12 D 8.49 4.38 0.00 2.62 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 13 D 8.54 4.37 0.00 2.77 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 14 H 8.42 4.11 0.00 3.39 3.60 0.00 5.46 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.49 3.95 0.00 1.53 1.68 0.85 0.66 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 16 L 8.04 3.96 0.00 1.74 1.59 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.23 3.79 0.00 2.02 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 2.38 0.00 18 K 8.40 4.16 0.00 2.04 1.75 0.00 1.62 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 19 V 7.05 3.38 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 0.82 0.00 0.00 0.89 0.00 0.00 20 L 8.77 4.10 0.00 1.64 1.72 0.91 0.81 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 21 E 7.82 3.99 0.00 2.31 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 0.00 2.63 2.35 0.00 22 L 7.73 5.02 0.00 1.89 1.77 0.92 0.60 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 23 N 8.29 4.86 0.00 2.88 2.86 0.00 0.00 6.72 7.35 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 24 A 7.44 4.12 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 25 K 8.68 3.94 0.00 1.92 2.12 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.41 7.81 26 G 7.53 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 27 E 9.02 4.37 0.00 2.09 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 2.34 2.34 0.00 28 K 9.14 4.00 0.00 1.76 1.59 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.41 7.81 29 R 9.12 4.34 0.00 1.88 2.01 0.00 3.13 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 30 L 8.16 3.83 0.00 1.62 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.73 4.40 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.52 0.94 0.00 0.00 32 K 8.52 4.33 0.00 1.58 1.26 0.00 1.83 0.00 0.00 1.37 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 1.34 7.81 33 T 7.23 4.25 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 1.20 0.00 0.00 34 W 8.97 5.15 0.00 3.42 3.01 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 35 S 8.45 4.90 0.00 4.14 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 0.00 36 R 7.98 4.08 0.00 2.08 2.20 0.00 3.30 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 37 R 7.96 4.60 0.00 2.07 2.16 0.00 3.18 0.00 0.00 3.46 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 38 S 7.54 4.83 0.00 3.75 3.83 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 0.00 0.00 0.00 39 T 7.80 4.61 3.91 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 1.18 0.00 0.00 40 I 7.31 4.23 2.02 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 1.16 0.59 0.85 0.00 0.00 41 V 7.60 3.66 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 0.77 0.00 0.00 0.86 0.00 0.00 42 P 0.00 4.22 0.00 2.20 2.00 0.00 3.66 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 2.11 2.08 0.00 43 E 8.79 4.06 0.00 2.07 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 0.00 2.14 2.29 0.00 44 M 7.78 4.20 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 45 V 7.28 3.35 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 0.64 0.00 0.00 0.89 0.00 0.00 46 G 8.29 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 47 H 7.77 4.34 0.00 3.35 3.20 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.40 4.45 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 1.47 0.00 0.00 49 I 8.30 4.74 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.48 0.95 0.00 0.00 50 A 8.40 4.77 1.10 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 0.00 0.00 0.00 0.00 0.00 51 V 7.67 3.68 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 0.97 0.00 0.00 0.94 0.00 0.00 52 Y 7.94 4.88 0.00 2.82 2.82 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 0.00 0.00 0.00 53 N 8.36 4.58 0.00 2.89 2.82 0.00 0.00 7.27 6.86 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 54 G 6.72 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 0.00 0.00 0.00 55 K 7.53 4.16 0.00 1.58 1.80 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.36 7.81 56 Q 8.49 4.58 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.72 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 57 H 8.61 5.11 0.00 3.05 3.19 0.00 5.68 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 58 V 8.78 4.21 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 0.65 0.00 0.00 1.00 0.00 0.00 59 P 0.00 4.73 0.00 2.08 2.10 0.00 3.76 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 1.99 1.97 0.00 60 V 8.27 4.07 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 0.76 0.00 0.00 0.75 0.00 0.00 61 Y 8.65 4.61 0.00 2.86 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 62 I 6.78 4.18 1.66 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.97 0.67 0.00 0.00 63 T 7.84 4.78 4.21 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 1.17 0.00 0.00 64 E 8.77 3.69 0.00 2.11 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 2.29 2.35 0.00 65 N 7.75 3.99 0.00 2.94 2.97 0.00 0.00 6.01 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 66 M 7.44 4.50 0.00 2.62 2.45 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 67 V 7.82 4.26 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 1.01 0.00 0.00 0.96 0.00 0.00 68 G 8.44 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.60 4.31 0.00 3.47 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.05 4.68 0.00 1.81 2.05 0.00 1.96 0.00 0.00 1.83 0.00 0.00 3.18 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.70 7.81 71 L 8.42 4.15 0.00 1.76 1.76 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.12 3.79 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 0.00 0.00 0.00 73 E 7.40 4.40 0.00 1.96 1.86 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 1.88 2.11 0.00 74 F 7.84 4.77 0.00 3.27 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 75 A 7.73 4.57 1.23 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 0.00 0.00 76 P 0.00 4.38 0.00 2.18 2.10 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 77 T 8.34 4.47 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 1.32 0.00 0.00 78 R 7.71 4.77 0.00 1.76 1.84 0.00 3.14 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 79 T 7.96 4.57 4.29 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 1.26 0.00 0.00 80 Y 8.61 3.51 0.00 3.01 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 81 R 7.48 3.95 0.00 1.76 1.83 0.00 3.43 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 *82 G 8.43 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.