NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2404 8.3344 116.7898 58.4676 64.2097 172.9039 5 L 3.3717 7.8156 122.6190 53.2788 39.2985 171.4395 6 K 4.6615 8.2159 120.2248 55.5666 34.2802 177.3351 7 K 4.2692 7.9286 120.9802 55.4971 32.3854 175.4294 8 G 3.9827 9.4268 110.3856 44.4185 0.0000 170.5682 9 V 4.4860 7.9974 115.9527 66.0796 31.5721 174.7049 10 F 3.8805 8.6613 109.9643 57.6386 38.4705 176.0906 11 V 3.2529 9.7164 124.5512 62.3349 31.3081 175.7834 12 D 4.6259 8.2866 122.5749 53.5575 42.1379 177.0549 13 D 4.2490 8.5136 122.6275 57.0206 39.5642 178.4029 14 H 4.2184 8.0799 117.1456 57.5641 28.0987 176.1106 15 L 4.1685 7.9520 122.4374 55.4536 40.8706 178.9744 16 L 3.9796 8.2291 122.0181 58.4363 42.5260 178.1935 17 E 4.0250 8.1428 118.7754 59.7984 29.2898 179.2295 18 K 4.0008 7.9717 118.6655 59.1778 31.9523 178.7485 19 V 3.6315 8.5299 119.3378 64.9908 31.3633 177.4576 20 L 4.1559 8.5006 119.0910 56.5541 41.6185 178.4808 21 E 4.0713 8.2172 117.5033 57.9451 29.7073 177.9024 22 L 4.5967 7.2024 114.5601 54.3315 42.4135 177.5705 23 N 4.2054 7.5130 118.8328 55.8113 39.3171 174.6465 24 A 4.1330 7.9455 122.3923 53.7884 18.0617 177.4305 25 K 3.9582 8.8317 121.4877 56.0161 30.0355 176.9008 26 G 4.0323 8.3807 107.4027 46.6126 0.0000 173.1637 27 E 4.3403 7.9641 116.8306 55.6369 31.7008 178.6997 28 K 4.4903 8.3328 115.5564 56.6133 30.9355 177.6129 29 R 4.7163 8.4227 115.0063 57.6705 34.1875 175.1264 30 L 4.0852 7.9113 121.8181 55.3025 40.2586 176.6153 31 I 4.2019 7.2025 120.0686 58.5010 38.6780 175.0213 32 K 4.0985 8.3144 129.9274 58.2992 32.0253 175.5070 33 T 4.3752 7.1217 114.5195 62.7239 69.1494 173.1245 34 W 5.0563 8.5735 121.6606 56.3534 31.8302 175.2451 35 S 4.7283 8.2957 114.2762 56.6306 63.1684 173.6156 36 R 4.3577 8.5213 123.4713 57.9701 30.3298 179.2679 37 R 4.4169 8.1807 110.9344 56.2394 28.8654 175.7155 38 S 4.4272 8.5680 113.9521 56.7842 64.9500 174.2051 39 T 4.1744 7.1891 120.8956 63.7946 69.2410 173.1386 40 I 4.4196 7.5248 121.7946 59.7820 39.6774 176.1250 41 V 3.8640 8.3144 127.2813 61.5512 32.5954 174.1124 42 P 4.3008 0.0000 0.0000 64.0578 31.9372 176.4469 43 E 4.1906 8.8905 118.7856 57.2898 28.1999 176.5996 44 M 4.3547 7.7209 115.8681 56.3257 31.9718 176.1270 45 V 3.6678 7.1798 113.6180 64.2580 31.6316 175.0655 46 G 4.3999 7.6692 113.0211 46.7869 0.0000 174.2400 47 H 4.6690 7.9498 118.3985 54.3499 26.8533 174.8353 48 T 4.1215 7.5614 110.6669 61.3332 69.8647 174.0240 49 I 4.8071 8.1722 122.0545 58.7240 41.2518 176.8642 50 A 5.2487 8.0889 131.8723 50.5269 16.5851 177.2799 51 V 3.5989 7.7345 121.2134 64.1648 33.0879 174.9822 52 Y 5.3828 8.7705 125.3839 55.3937 40.4441 174.9646 53 N 4.8683 8.0209 119.8620 52.1187 38.4987 173.6123 54 G 4.4142 8.5932 108.1903 46.1587 0.0000 174.8379 55 K 4.1317 7.3629 118.9528 57.6811 33.1124 175.3419 56 Q 3.5835 6.9276 115.0613 55.2531 32.1930 173.0374 57 H 4.9740 8.2936 116.2520 55.5149 29.7237 175.7790 58 V 4.3753 8.6753 115.3326 58.5210 34.8217 174.4839 59 P 4.9711 0.0000 0.0000 61.9835 29.0967 175.5494 60 V 4.0374 7.8457 123.3537 61.6515 33.0751 176.5074 61 Y 4.5562 8.5904 127.2131 57.1311 38.5779 174.1130 62 I 4.0374 7.0110 124.2782 59.6354 41.6592 173.8367 63 T 4.5603 7.4578 118.9340 60.6698 70.3102 173.8649 64 E 4.0795 8.6204 117.2349 56.8705 29.1166 176.4715 65 N 4.8113 7.9005 115.2815 55.8586 40.8263 177.4468 66 M 4.6190 7.7290 114.7039 55.1081 29.2007 177.1587 67 V 3.9390 7.7921 121.3074 66.3688 32.6213 177.9825 68 G 3.7429 7.9010 106.5103 48.1066 0.0000 173.5309 69 H 4.6578 7.8516 116.3758 55.0806 29.8337 175.1161 70 K 4.4842 8.5257 121.9172 55.7767 32.9442 178.0030 71 L 4.1732 8.2884 123.6082 58.2029 42.0356 179.0253 72 G 4.0955 8.4218 106.8325 49.0861 0.0000 175.1751 73 E 4.1586 8.2924 116.5124 56.2960 28.4749 177.9166 74 F 4.7328 8.5041 113.3391 57.9692 43.1992 175.0555 75 A 4.6138 7.5793 124.0962 49.0054 18.0709 173.8782 76 P 4.1635 0.0000 0.0000 62.7412 31.0691 176.7187 77 T 4.4176 8.4377 115.0484 62.4932 70.3456 175.4281 78 R 4.6432 7.7584 129.8437 56.2790 27.5151 181.8363 79 T 4.0876 9.8980 117.8240 63.5273 65.7762 174.7597 *80 Y 3.7647 6.3838 128.3537 57.5706 33.6498 177.4805 81 R 4.2900 8.2250 123.5343 55.2993 30.1285 174.6949 82 G 3.9747 8.2615 106.5125 47.5264 0.0000 174.2338 *83 H 4.5119 7.9443 121.1006 54.6122 28.6895 177.8340 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 4.24 0.00 3.85 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 5 L 7.82 3.37 0.00 1.71 1.69 1.19 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.22 4.66 0.00 1.86 1.82 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.32 7.81 7 K 7.93 4.27 0.00 1.66 1.71 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.49 7.81 8 G 9.43 3.98 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 0.00 0.00 0.00 9 V 8.00 4.49 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 1.00 0.00 0.00 0.96 0.00 0.00 10 F 8.66 3.88 0.00 3.31 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 11 V 9.72 3.25 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 0.61 0.00 0.00 0.82 0.00 0.00 12 D 8.29 4.63 0.00 2.68 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.25 0.00 2.93 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 14 H 8.08 4.22 0.00 3.39 3.63 0.00 5.46 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.95 4.17 0.00 1.97 1.51 0.94 0.50 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 16 L 8.23 3.98 0.00 1.71 1.71 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.14 4.03 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 2.32 2.35 0.00 18 K 7.97 4.00 0.00 1.90 2.20 0.00 1.57 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.50 7.81 19 V 8.53 3.63 2.17 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 0.89 0.00 0.00 0.97 0.00 0.00 20 L 8.50 4.16 0.00 1.78 1.68 0.91 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.22 4.07 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 2.34 2.64 0.00 22 L 7.20 4.60 0.00 1.63 1.64 0.92 0.54 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 23 N 7.51 4.21 0.00 2.92 2.90 0.00 0.00 7.04 8.03 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 24 A 7.95 4.13 1.26 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 25 K 8.83 3.96 0.00 2.15 2.18 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.36 7.81 26 G 8.38 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 27 E 7.96 4.34 0.00 1.97 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 2.35 2.33 0.00 28 K 8.33 4.49 0.00 1.75 1.68 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.42 7.81 29 R 8.42 4.72 0.00 1.89 2.05 0.00 3.12 0.00 0.00 3.16 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 30 L 7.91 4.09 0.00 1.63 1.67 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.20 4.20 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 1.31 1.31 0.98 0.00 0.00 32 K 8.31 4.10 0.00 1.70 1.77 0.00 1.95 0.00 0.00 1.14 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.88 0.98 7.81 33 T 7.12 4.38 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 1.26 0.00 0.00 34 W 8.57 5.06 0.00 3.33 2.89 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 35 S 8.30 4.73 0.00 4.05 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 36 R 8.52 4.36 0.00 2.20 2.30 0.00 3.21 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 37 R 8.18 4.42 0.00 2.07 2.17 0.00 3.12 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 38 S 8.57 4.43 0.00 3.80 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 39 T 7.19 4.17 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 1.20 0.00 0.00 40 I 7.52 4.42 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.71 0.87 0.00 0.00 41 V 8.31 3.86 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 0.75 0.00 0.00 0.87 0.00 0.00 42 P 0.00 4.30 0.00 2.20 1.96 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 43 E 8.89 4.19 0.00 2.17 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 2.26 2.25 0.00 44 M 7.72 4.35 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 45 V 7.18 3.67 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 0.59 0.00 0.00 0.92 0.00 0.00 46 G 7.67 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.67 0.00 3.31 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.56 4.12 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 1.49 0.00 0.00 49 I 8.17 4.81 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.96 0.94 0.00 0.00 50 A 8.09 5.25 1.15 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 51 V 7.73 3.60 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 1.08 0.00 0.00 1.06 0.00 0.00 52 Y 8.77 5.38 0.00 2.67 2.84 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 53 N 8.02 4.87 0.00 2.75 2.75 0.00 0.00 6.33 7.00 0.00 0.00 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 8.59 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.36 4.13 0.00 1.67 1.70 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.37 7.81 56 Q 6.93 3.58 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.76 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 57 H 8.29 4.97 0.00 2.99 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.68 4.38 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 0.82 0.00 0.00 0.98 0.00 0.00 59 P 0.00 4.97 0.00 2.07 2.08 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 60 V 7.85 4.04 2.11 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 0.77 0.00 0.00 0.70 0.00 0.00 61 Y 8.59 4.56 0.00 2.90 2.87 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 62 I 7.01 4.04 1.57 0.00 0.00 0.64 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 0.89 0.73 0.00 0.00 63 T 7.46 4.56 4.05 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 0.00 0.00 1.21 0.00 0.00 64 E 8.62 4.08 0.00 2.10 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 2.26 2.32 0.00 65 N 7.90 4.81 0.00 2.72 2.90 0.00 0.00 6.88 7.81 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 66 M 7.73 4.62 0.00 2.38 2.15 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 2.56 2.41 0.00 67 V 7.79 3.94 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 1.01 0.00 0.00 0.98 0.00 0.00 68 G 7.90 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 69 H 7.85 4.66 0.00 3.35 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.53 4.48 0.00 1.94 2.07 0.00 2.34 0.00 0.00 2.02 0.00 0.00 3.26 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.66 1.60 7.81 71 L 8.29 4.17 0.00 1.80 1.87 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.42 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 73 E 8.29 4.16 0.00 1.70 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 2.21 2.22 0.00 74 F 8.50 4.73 0.00 3.17 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 75 A 7.58 4.61 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 76 P 0.00 4.16 0.00 2.17 2.16 0.00 3.84 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 1.99 2.00 0.00 77 T 8.44 4.42 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 1.27 0.00 0.00 78 R 7.76 4.64 0.00 1.85 0.85 0.00 3.33 0.00 0.00 3.26 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 79 T 9.90 4.09 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 *80 Y 6.38 3.76 0.00 2.38 2.36 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 R 8.22 4.29 0.00 1.82 1.85 0.00 3.20 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.18 0.00 82 G 8.26 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 *83 H 7.94 4.51 0.00 2.69 2.89 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.