NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6862 8.3644 120.3210 52.4006 42.0808 175.5018 5 V 4.1197 7.7799 114.3884 62.4933 35.2495 176.3539 6 L 4.1516 9.0457 120.7906 57.6169 42.3329 178.8713 7 K 3.9466 7.9640 117.3003 59.6515 32.0094 179.0993 8 N 4.3903 8.1427 116.0975 56.3503 38.4703 177.4059 9 I 3.7970 7.7856 120.5214 64.2290 37.1506 178.1798 10 A 4.0232 8.7050 121.9370 55.5297 18.2417 179.3242 11 D 4.3514 8.4924 117.6100 58.0257 40.9616 179.3912 12 T 3.9680 8.1936 116.1545 66.3786 68.1792 176.8784 13 L 4.1362 7.9696 120.3356 58.1018 42.1877 179.0952 14 E 4.0350 8.6314 118.5953 59.1304 29.0773 179.2422 15 A 4.0482 7.9969 120.4231 54.9847 18.5533 179.1584 16 R 4.4514 7.5207 111.4310 56.3949 30.0261 177.7980 17 R 3.5490 7.4124 120.4556 59.2050 30.8820 177.3137 18 E 4.6276 7.9183 114.1922 55.3669 30.0598 174.5229 19 A 4.5764 7.4797 121.9287 50.6386 22.0739 176.6870 20 A 4.2290 8.3018 118.4529 51.4767 19.1003 177.3209 21 P 4.2170 0.0000 0.0000 65.4413 31.4824 177.5087 22 Q 4.3350 7.8544 114.2762 56.3149 29.5341 176.5040 23 S 4.2254 7.9630 113.4360 60.8925 62.6506 173.5851 24 S 4.6208 7.4942 111.3225 56.2781 65.6084 173.6817 25 Y 4.1571 8.7914 120.9425 60.9254 38.5357 177.4809 26 V 3.1384 7.9718 118.4614 65.8614 31.5145 177.6888 27 A 4.1925 7.9460 120.2902 55.1047 18.3226 179.5539 28 S 4.1833 7.8807 112.4969 61.4808 62.9410 176.6538 29 L 3.7576 7.6286 122.4478 57.6659 41.1475 179.2826 30 F 4.5427 7.4651 116.2195 61.2975 38.9586 177.0959 31 H 4.4468 8.2180 116.7888 59.1266 29.7418 177.1959 32 K 4.1230 7.9747 119.8608 59.4037 32.2438 175.7337 33 G 3.7329 8.1919 103.6213 43.6354 0.0000 174.0600 34 E 3.1608 8.8319 118.4898 59.2752 29.2673 178.3070 35 D 4.2778 8.0229 117.8952 57.5443 40.7168 178.6286 36 A 3.9325 7.9157 120.4289 55.1973 18.2813 179.6498 37 I 3.7018 7.2691 118.4677 64.4319 37.1808 178.6063 38 L 4.0232 8.1077 120.0783 57.4116 41.2646 179.7115 39 K 3.9114 8.2702 118.9676 59.3656 31.9564 179.1996 40 K 3.8649 7.6073 118.4322 59.3635 32.0703 178.8790 41 V 3.5726 7.8127 118.2898 66.0586 31.4865 177.8789 42 A 3.9855 8.1651 120.5267 54.9620 18.1487 179.0609 43 E 3.8628 8.4708 118.1500 59.7675 29.7861 179.0953 44 E 3.9680 8.4955 118.3461 59.1815 29.4373 179.3323 45 A 4.0288 8.0182 120.9456 55.0560 18.2250 179.5726 46 A 3.9752 7.9352 118.4315 55.2385 18.5320 179.2307 47 E 4.0355 8.2510 117.1372 59.5203 29.9642 178.8629 48 T 4.0564 7.8895 116.0961 66.3746 68.4491 176.8134 49 L 4.0188 7.5887 116.0531 55.7654 41.1175 178.6515 *51 A 4.2941 7.8940 124.3076 52.3569 20.8254 179.7643 52 S 4.0758 8.2121 110.3181 61.3269 62.6896 176.2922 53 K 3.9551 8.0858 120.2572 59.5707 31.9130 177.1285 54 D 4.5351 8.0804 114.9974 54.0077 40.8976 176.2334 55 K 3.8665 7.7109 116.7156 57.4246 30.6678 176.8969 56 D 4.6456 7.5608 120.1457 52.7694 37.8933 176.2268 57 K 3.8238 8.1354 123.2691 59.3256 32.3257 178.3372 58 L 4.0115 7.9016 118.6927 57.8827 41.6518 178.6725 59 H 4.2742 8.4093 117.8485 58.7153 29.7279 176.9855 60 L 3.8407 8.0597 122.5386 58.2934 41.9525 179.2051 61 V 3.5216 7.4265 118.0147 65.9956 31.4164 178.1776 62 R 3.8587 7.7214 117.7384 59.1366 29.8925 178.9917 63 E 3.8838 8.2531 118.4698 59.4621 29.4840 179.3118 64 V 3.6506 8.0995 118.4370 66.0255 31.3287 177.9960 65 A 3.7086 7.7898 120.4166 55.0941 18.2490 179.1343 66 D 4.4667 8.1030 116.6114 57.2167 41.1430 178.2293 67 L 4.0724 8.5111 121.4010 58.0212 42.0153 178.6940 68 W 4.3765 8.5349 118.0109 59.9243 29.1638 177.8329 69 F 4.4017 8.6516 119.4518 62.0615 39.0969 176.8580 70 H 4.1643 8.6564 115.2685 58.5414 28.2701 177.9987 71 T 4.2330 7.9139 115.7976 64.2029 68.0174 176.2232 *73 V 3.8206 7.7486 123.1522 62.8645 33.5255 177.2477 74 L 3.9467 8.0797 121.0878 58.2134 41.8475 178.6743 75 L 4.0547 8.1527 119.1420 58.5179 41.7382 179.8333 76 T 4.0174 8.0159 114.8132 66.8718 68.1946 175.8945 77 Y 4.0605 8.1434 120.6260 60.1316 38.7716 176.5824 78 H 4.8494 7.8063 115.1707 54.7574 29.3916 175.0619 79 G 3.8845 7.6488 107.1726 46.5617 0.0000 173.7828 80 L 4.8993 7.7152 120.4649 53.0674 44.8236 175.6536 81 R 4.5854 8.9435 112.8805 54.4156 32.3635 174.6551 82 P 4.0762 0.0000 0.0000 65.7813 31.2397 178.1482 83 E 3.9126 8.2695 115.5986 59.7892 29.3616 178.8390 84 D 4.5026 8.1277 118.0363 57.4838 41.1589 178.8401 85 V 3.7215 7.5558 118.0222 65.8126 31.5007 178.4468 86 V 3.7805 7.7422 114.2701 63.9665 30.5302 176.8500 *88 E 4.2100 8.1317 120.0679 55.7706 31.2959 177.8635 89 L 4.0390 8.0785 118.9520 57.9531 41.9998 178.8808 90 H 4.3057 8.4382 117.7226 59.1453 29.9401 176.2721 91 R 3.9380 8.0480 117.9619 59.1840 30.1378 176.8393 92 R 3.8436 7.3110 115.3953 57.9920 29.6035 176.6646 93 E 3.9602 6.4346 124.2685 58.6936 30.2302 177.6330 94 G 4.0463 8.8007 112.3383 45.6639 0.0000 172.4527 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 D 8.36 4.69 0.00 2.83 2.70 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 0.00 0.00 0.00 5 V 7.78 4.12 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 1.05 0.00 0.00 0.97 0.00 0.00 6 L 9.05 4.15 0.00 1.79 1.77 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.96 3.95 0.00 1.92 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.78 7.81 8 N 8.14 4.39 0.00 2.91 2.90 0.00 0.00 7.11 7.44 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 9 I 7.79 3.80 2.16 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 1.18 0.00 0.00 10 A 8.70 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.35 0.00 2.87 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 12 T 8.19 3.97 4.49 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 1.29 0.00 0.00 13 L 7.97 4.14 0.00 1.90 1.93 0.85 1.16 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 14 E 8.63 4.04 0.00 2.12 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 2.31 2.54 0.00 15 A 8.00 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.52 4.45 0.00 2.11 2.09 0.00 3.22 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 17 R 7.41 3.55 0.00 1.61 1.96 0.00 2.21 0.00 0.00 2.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 18 E 7.92 4.63 0.00 1.90 1.84 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 2.12 2.12 0.00 19 A 7.48 4.58 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.30 4.23 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 21 P 0.00 4.22 0.00 1.97 1.98 0.00 3.63 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 1.81 1.90 0.00 22 Q 7.85 4.33 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 23 S 7.96 4.23 0.00 3.81 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 24 S 7.49 4.62 0.00 3.91 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 25 Y 8.79 4.16 0.00 3.08 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 26 V 7.97 3.14 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 0.75 0.00 0.00 1.17 0.00 0.00 27 A 7.95 4.19 1.47 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 0.00 0.00 28 S 7.88 4.18 0.00 4.13 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 0.00 29 L 7.63 3.76 0.00 1.35 1.28 0.51 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.47 4.54 0.00 3.27 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 31 H 8.22 4.45 0.00 3.23 3.54 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.97 4.12 0.00 1.90 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.67 7.81 33 G 8.19 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 34 E 8.83 3.16 0.00 1.89 1.89 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 2.29 2.30 0.00 35 D 8.02 4.28 0.00 2.68 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 36 A 7.92 3.93 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 37 I 7.27 3.70 1.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.79 0.00 0.00 38 L 8.11 4.02 0.00 1.77 1.69 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.27 3.91 0.00 1.90 1.84 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.61 7.81 40 K 7.61 3.86 0.00 1.86 1.74 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.08 1.21 7.81 41 V 7.81 3.57 2.22 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 0.98 0.00 0.00 1.01 0.00 0.00 42 A 8.17 3.99 1.37 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 43 E 8.47 3.86 0.00 2.12 2.15 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 2.31 2.36 0.00 44 E 8.50 3.97 0.00 2.06 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 0.00 2.57 2.56 0.00 45 A 8.02 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 3.98 1.37 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 47 E 8.25 4.04 0.00 2.10 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 0.00 2.37 2.38 0.00 48 T 7.89 4.06 4.46 0.00 0.00 0.00 0.00 0.00 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 49 L 7.59 4.02 0.00 1.92 1.68 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *51 A 7.89 4.29 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.21 4.08 0.00 3.93 4.06 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 53 K 8.09 3.96 0.00 1.94 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 D 8.08 4.54 0.00 2.72 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 55 K 7.71 3.87 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 D 7.56 4.65 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 3.82 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.72 7.81 58 L 7.90 4.01 0.00 1.72 1.70 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.41 4.27 0.00 3.45 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.06 3.84 0.00 1.77 1.80 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.43 3.52 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 0.86 0.00 0.00 0.90 0.00 0.00 62 R 7.72 3.86 0.00 1.95 1.92 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 63 E 8.25 3.88 0.00 2.00 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 2.21 2.22 0.00 64 V 8.10 3.65 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 0.63 0.00 0.00 0.89 0.00 0.00 65 A 7.79 3.71 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 66 D 8.10 4.47 0.00 3.03 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 67 L 8.51 4.07 0.00 1.92 2.05 1.05 1.22 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 68 W 8.53 4.38 0.00 3.46 3.36 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 69 F 8.65 4.40 0.00 3.10 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.66 4.16 0.00 3.37 3.36 0.00 5.87 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 71 T 7.91 4.23 4.49 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 1.13 0.00 0.00 *73 V 7.75 3.82 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.17 0.00 0.00 74 L 8.08 3.95 0.00 1.87 1.90 0.92 0.86 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 75 L 8.15 4.05 0.00 1.73 1.74 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.02 4.02 4.67 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 0.00 0.00 0.00 1.19 0.00 0.00 77 Y 8.14 4.06 0.00 3.31 3.23 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 78 H 7.81 4.85 0.00 3.34 3.27 0.00 5.86 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.65 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 80 L 7.72 4.90 0.00 1.72 1.74 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.94 4.59 0.00 1.96 1.97 0.00 3.03 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 82 P 0.00 4.08 0.00 2.20 2.12 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 83 E 8.27 3.91 0.00 1.91 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 0.00 2.33 2.50 0.00 84 D 8.13 4.50 0.00 2.73 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 85 V 7.56 3.72 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 0.94 0.00 0.00 0.85 0.00 0.00 86 V 7.74 3.78 2.18 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 1.00 0.00 0.00 0.94 0.00 0.00 *88 E 8.13 4.21 0.00 2.16 2.15 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 2.24 2.37 0.00 89 L 8.08 4.04 0.00 1.92 1.68 0.79 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.44 4.31 0.00 3.07 3.30 0.00 5.79 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 91 R 8.05 3.94 0.00 1.77 2.06 0.00 3.26 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 92 R 7.31 3.84 0.00 2.04 1.75 0.00 3.20 0.00 0.00 3.22 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 93 E 6.43 3.96 0.00 2.00 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 2.31 0.00 94 G 8.80 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.