NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3563 8.1749 112.9166 60.8357 70.0301 173.4200 3 E 4.4205 8.7075 124.0275 53.6496 30.8710 174.5793 4 T 4.4135 8.3088 110.3658 59.9944 71.3908 174.1936 5 K 4.2709 8.2928 122.2080 55.5229 32.8665 175.3754 6 P 4.6036 0.0000 0.0000 63.5800 32.6170 175.0453 7 R 4.7429 9.5577 122.1714 54.8438 32.0961 175.1079 8 I 4.9390 8.7809 125.5103 59.4865 39.9961 174.7676 9 A 5.0627 8.8642 127.0292 50.2442 22.6830 174.9498 10 I 4.6090 9.0758 123.3020 59.6046 39.8428 174.7799 11 R 4.9704 9.0132 128.1627 55.1134 31.5738 175.5888 12 Y 5.4877 8.3316 121.6533 55.0233 41.6650 174.2383 13 C 4.5941 9.6900 123.2216 59.8232 31.9877 174.4064 14 T 4.1426 8.7784 119.1247 64.8857 68.5891 176.4042 15 Q 4.0773 7.9093 119.1074 57.9145 28.6211 176.7487 16 C 4.0082 7.1433 116.2611 58.5406 28.8128 172.6890 17 N 4.2216 7.5369 117.1706 54.4901 36.2510 175.2224 18 W 5.0386 7.9764 115.0144 56.6179 29.8519 177.1924 19 L 3.2756 8.0212 122.2329 58.0667 41.4954 178.3678 20 L 3.9972 8.0888 118.5346 58.2262 41.3953 179.8447 21 R 4.1625 7.9850 113.3978 59.0401 29.5699 178.2348 22 A 4.4195 8.1055 121.2234 55.0336 18.6726 179.4962 23 G 3.7388 8.3419 104.6502 47.5091 0.0000 176.0646 24 W 4.4753 8.2448 126.9686 58.0911 30.5525 177.2278 *26 A 4.1912 7.8781 120.9511 51.9656 20.0209 179.8321 27 Q 3.9916 8.1295 114.7855 59.0767 28.6591 178.8605 28 E 3.8656 8.1642 119.9000 59.4385 29.3611 179.5785 29 I 3.8139 7.4714 119.0742 64.5939 37.3454 178.4594 30 L 4.0679 8.1090 119.8039 57.4905 41.1652 179.3770 31 Q 3.9473 8.2460 119.4822 59.4024 29.0936 178.2535 32 T 3.8048 7.5925 115.3453 66.6042 68.8524 176.3351 33 F 4.3472 8.6420 118.8536 57.0168 39.7830 177.2600 34 A 3.6600 8.6278 121.8449 53.0541 17.9141 180.0799 35 S 4.3091 8.7763 112.2669 62.4830 62.8995 175.0106 36 D 4.5236 8.0963 120.8169 56.0020 40.7811 176.0750 37 I 4.3943 7.6868 120.8623 59.4077 38.9470 175.9682 38 G 3.8779 8.8855 113.5451 48.9322 0.0000 173.4585 39 E 4.8913 7.7527 116.8666 54.9102 32.8252 173.9245 40 V 4.8044 8.3574 120.5639 61.3595 34.0778 174.5494 41 S 4.8347 9.3712 124.4515 56.8495 65.2262 172.9777 42 L 5.1021 8.5745 124.4585 53.2803 43.4251 176.0187 43 I 4.4636 8.9347 125.2802 58.5336 39.8458 173.2640 44 P 3.6974 0.0000 0.0000 62.9931 31.8937 176.0528 45 S 4.8685 8.5348 119.7470 56.9039 67.6348 172.5055 46 T 5.4934 7.4762 109.5072 59.0398 71.6856 173.3706 47 G 3.6105 8.7570 107.1124 46.9235 0.0000 174.8977 48 G 4.2719 8.0741 101.2714 45.9294 0.0000 172.9232 49 L 4.4287 7.5230 122.2372 54.7179 43.5916 175.9365 50 F 5.0767 8.9371 127.7467 57.0150 42.5025 172.3587 51 E 5.2432 9.1524 127.5386 54.5151 33.4034 173.9121 52 I 5.1393 9.2127 127.8313 59.7398 40.1642 174.6938 53 T 5.1079 8.8540 117.0900 59.7598 72.3411 173.2554 54 V 4.5789 8.6431 123.0776 61.4950 34.1376 175.1998 55 D 4.4855 10.3656 129.2254 55.2514 38.9567 175.2123 56 G 3.9314 8.5047 106.4966 45.5274 0.0000 174.2055 57 T 4.2893 7.9009 118.1961 62.0541 69.2478 174.3761 58 I 4.2408 8.4043 128.3247 61.6169 37.4285 175.6554 59 I 4.5360 8.7021 118.4675 60.6299 39.3969 175.5380 60 W 5.2027 7.9005 132.3901 56.2582 34.4373 172.6957 61 E 5.1168 8.8062 127.0091 54.8074 32.6155 175.1805 62 R 4.3631 8.9265 128.1218 59.3461 30.2245 178.9497 63 K 3.9402 8.7959 118.5390 58.9615 31.9160 179.1446 64 R 4.1385 8.0172 114.1940 57.1118 30.0809 177.2419 65 D 4.3783 7.5119 117.4348 52.8344 41.4411 176.0949 66 G 3.7978 6.9234 107.1445 46.1530 0.0000 172.9104 67 G 3.9347 6.6410 112.1854 43.8986 0.0000 176.6130 68 F 4.8556 8.6252 123.4096 54.2766 42.1218 172.6888 69 P 3.8054 0.0000 0.0000 61.9832 32.1172 176.9816 70 G 3.9925 8.3663 107.1107 43.4853 0.0000 173.2878 71 P 4.0967 0.0000 0.0000 65.4360 31.1121 178.6707 72 K 3.8825 7.9904 119.1151 59.3536 32.2623 178.5175 73 E 4.0324 8.1081 117.4479 59.0800 29.4636 178.3579 74 L 3.8354 7.7260 121.2191 58.1601 42.1094 179.2617 75 K 4.2199 7.9771 118.0730 59.5780 31.8806 179.5096 76 Q 4.0741 8.0134 118.2056 59.1360 28.2176 178.9117 77 R 3.7732 8.1054 119.0564 59.1891 29.9385 179.3646 78 I 3.6556 7.6064 119.7251 64.2197 36.9302 178.1042 79 R 3.9453 8.2026 118.5622 59.7296 29.9435 177.5168 80 D 4.5983 8.4865 117.7513 57.7704 40.9766 179.0132 81 L 4.1188 7.3012 116.2612 57.8157 41.7986 177.9470 82 I 4.0703 7.7345 122.8729 61.5165 37.2995 175.6987 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 2 T 8.17 4.36 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 3 E 8.71 4.42 0.00 2.00 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 2.21 2.35 0.00 4 T 8.31 4.41 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 1.20 0.00 0.00 5 K 8.29 4.27 0.00 1.65 1.82 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.38 7.81 6 P 0.00 4.60 0.00 2.00 2.10 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 7 R 9.56 4.74 0.00 1.80 1.87 0.00 3.08 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 8 I 8.78 4.94 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.67 0.86 0.00 0.00 9 A 8.86 5.06 1.18 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 0.00 0.00 0.00 10 I 9.08 4.61 1.85 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 1.15 0.76 0.63 0.00 0.00 11 R 9.01 4.97 0.00 1.67 1.82 0.00 3.24 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 12 Y 8.33 5.49 0.00 3.67 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 13 C 9.69 4.59 0.00 3.17 2.41 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 14 T 8.78 4.14 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 1.02 0.00 0.00 15 Q 7.91 4.08 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 16 C 7.14 4.01 0.00 1.55 1.43 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 0.00 17 N 7.54 4.22 0.00 2.82 2.92 0.00 0.00 6.86 7.56 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 18 W 7.98 5.04 0.00 3.93 3.38 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 19 L 8.02 3.28 0.00 1.84 1.71 0.70 0.68 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 20 L 8.09 4.00 0.00 1.79 1.72 0.93 0.85 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 R 7.98 4.16 0.00 1.98 1.94 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.54 0.00 22 A 8.11 4.42 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 23 G 8.34 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 24 W 8.24 4.48 0.00 3.36 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 A 7.88 4.19 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 27 Q 8.13 3.99 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 28 E 8.16 3.87 0.00 1.51 1.76 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 1.83 1.51 0.00 29 I 7.47 3.81 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.63 0.93 0.00 0.00 30 L 8.11 4.07 0.00 1.77 1.73 0.92 0.71 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 31 Q 8.25 3.95 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 32 T 7.59 3.80 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 0.46 0.00 0.00 33 F 8.64 4.35 0.00 3.13 3.07 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 0.00 0.00 0.00 0.00 34 A 8.63 3.66 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 35 S 8.78 4.31 0.00 4.00 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 36 D 8.10 4.52 0.00 3.03 2.85 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 37 I 7.69 4.39 2.01 0.00 0.00 0.54 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 0.77 0.91 0.00 0.00 38 G 8.89 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 39 E 7.75 4.89 0.00 2.00 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 2.23 2.26 0.00 40 V 8.36 4.80 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 0.82 0.00 0.00 0.91 0.00 0.00 41 S 9.37 4.83 0.00 3.75 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.57 5.10 0.00 1.60 1.74 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.93 4.46 1.88 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 1.25 0.99 0.89 0.00 0.00 44 P 0.00 3.70 0.00 1.83 1.89 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 45 S 8.53 4.87 0.00 3.74 3.69 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 46 T 7.48 5.49 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 1.16 0.00 0.00 47 G 8.76 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 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 0.00 0.00 0.00 0.00 49 L 7.52 4.43 0.00 2.01 1.67 0.99 0.79 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 50 F 8.94 5.08 0.00 3.32 2.83 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 51 E 9.15 5.24 0.00 2.06 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 52 I 9.21 5.14 2.00 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 1.20 0.54 0.95 0.00 0.00 53 T 8.85 5.11 4.13 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 1.23 0.00 0.00 54 V 8.64 4.58 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 0.99 0.00 0.00 0.87 0.00 0.00 55 D 10.37 4.49 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 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 57 T 7.90 4.29 4.35 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 1.20 0.00 0.00 58 I 8.40 4.24 1.86 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 1.47 0.46 0.96 0.00 0.00 59 I 8.70 4.54 1.95 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 1.28 0.78 0.97 0.00 0.00 60 W 7.90 5.20 0.00 3.53 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 61 E 8.81 5.12 0.00 1.94 1.57 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 2.23 2.38 0.00 62 R 8.93 4.36 0.00 1.87 1.92 0.00 3.12 0.00 0.00 2.87 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 0.00 63 K 8.80 3.94 0.00 2.10 1.80 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 64 R 8.02 4.14 0.00 1.85 2.06 0.00 2.90 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.43 0.00 65 D 7.51 4.38 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.92 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 67 G 6.64 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 68 F 8.63 4.86 0.00 2.76 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 69 P 0.00 3.81 0.00 1.56 0.49 0.00 3.38 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 70 G 8.37 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 0.00 0.00 0.00 71 P 0.00 4.10 0.00 2.28 2.34 0.00 3.85 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 72 K 7.99 3.88 0.00 1.86 1.86 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.51 7.81 73 E 8.11 4.03 0.00 2.34 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 0.00 2.43 2.26 0.00 74 L 7.73 3.84 0.00 1.65 1.83 0.83 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.98 4.22 0.00 1.91 1.95 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.68 7.81 76 Q 8.01 4.07 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 77 R 8.11 3.77 0.00 2.08 2.06 0.00 3.41 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.08 0.00 78 I 7.61 3.66 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.22 0.00 0.00 79 R 8.20 3.95 0.00 2.17 2.18 0.00 3.53 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 80 D 8.49 4.60 0.00 2.85 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 81 L 7.30 4.12 0.00 1.76 1.69 0.90 0.87 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 82 I 7.73 4.07 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.49 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.