NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 F 4.6338 8.3244 119.0291 56.2599 39.6404 176.9399 10 K 3.8140 9.2119 121.5619 59.1218 31.9279 175.3026 11 F 5.5080 7.8541 115.0303 54.6602 43.2722 173.2817 12 H 5.2180 8.6521 116.5106 53.2577 31.4881 173.1526 13 S 4.4062 8.6442 116.4657 60.6098 63.0509 174.2694 14 G 4.0074 9.1388 113.2252 45.1945 0.0000 173.7851 15 E 3.9455 7.6367 121.3622 56.1882 30.6235 175.9694 16 K 4.6253 8.5615 128.3584 56.2701 33.4008 175.9105 17 V 4.5235 9.1656 119.8542 60.2367 37.1594 173.2961 18 L 5.0997 8.5909 121.2614 53.5008 44.0319 175.7702 19 C 5.1591 8.9778 122.4941 57.3971 35.1462 173.3145 20 F 4.6175 9.0616 125.0026 57.1092 39.3909 174.6895 21 E 4.0623 8.8307 122.8637 56.7714 29.3162 175.4815 22 P 4.5476 0.0000 0.0000 63.6106 32.5060 175.3307 23 D 4.6715 7.9723 120.0477 51.8230 40.3716 174.3792 24 P 4.4236 0.0000 0.0000 65.9083 30.9679 177.4330 25 T 4.1941 7.9707 106.2367 61.9622 69.2562 174.5267 26 K 4.4616 7.9516 121.9586 54.0912 34.2360 175.8839 27 A 3.8450 8.4477 122.9413 52.7103 18.4198 177.6805 28 R 4.0943 8.5233 122.8616 56.5421 29.6544 175.5068 29 V 4.5657 8.0221 117.5948 59.6015 36.8803 174.1614 30 L 4.7827 8.0429 121.0875 53.2953 43.3912 175.8182 31 Y 4.7645 8.7448 122.0896 55.9716 40.7809 175.1210 32 D 4.7975 8.8076 122.8930 54.9349 42.2197 175.3763 33 A 4.9667 9.1984 124.0048 50.9702 23.7362 174.4242 34 K 4.8483 9.0841 119.3472 54.7758 36.1515 175.3927 35 I 4.0882 8.7794 128.8858 61.6862 37.4433 176.5446 36 V 3.7896 8.5156 127.9561 64.7050 32.3303 175.7082 37 D 4.9785 7.7442 118.6292 52.6323 44.7072 174.0000 38 V 5.1234 8.4911 123.6599 60.2950 34.5669 174.7844 39 I 4.6356 8.5591 122.3049 59.6439 41.7788 173.9620 40 V 3.9247 8.5994 130.0173 61.8694 32.1844 175.3427 41 G 4.4063 9.1318 115.1575 44.2487 0.0000 171.2079 42 K 5.1345 8.2471 118.1264 54.5897 35.7461 176.2443 43 D 4.6876 8.9968 123.8765 52.3576 40.4065 177.1666 44 E 3.6201 8.6898 118.5081 58.7344 29.4166 178.3473 45 K 4.4351 10.0215 117.2748 55.9047 32.4162 177.4845 46 G 3.9493 9.2235 107.7765 45.4961 0.0000 175.0292 47 R 4.1198 7.6063 119.1723 55.8022 31.4251 176.2794 48 K 4.7394 8.6297 122.7906 56.5565 32.7379 176.4270 49 I 4.7601 8.5070 119.0108 58.1532 40.8041 173.1288 50 P 4.7440 0.0000 0.0000 62.7732 32.2385 175.1985 51 E 4.8354 9.3790 122.3474 54.8091 33.2246 174.5218 52 Y 5.3296 8.8620 119.6588 56.2861 41.8498 174.2346 53 L 4.1438 9.3950 128.4027 53.7943 43.6098 175.1834 54 I 4.6598 8.5065 120.2667 59.1939 40.6202 173.6957 55 H 5.2592 8.5923 125.6683 53.9086 32.0101 173.4680 56 F 5.0602 8.1919 124.4213 55.8876 40.2133 175.1774 57 N 4.5909 8.8031 122.8654 55.0946 38.6345 175.7846 58 G 3.8374 9.2563 111.6883 44.6293 0.0000 172.9698 59 W 4.6989 7.6820 119.1386 54.5768 31.5582 175.4792 60 N 4.9586 8.8448 119.2663 51.6327 38.3940 176.1452 61 R 4.3181 8.6544 114.7817 58.8290 29.3295 178.2098 62 S 4.3356 8.9537 112.3971 59.2818 63.1831 174.5612 63 W 4.6265 8.3564 120.6352 56.4966 29.8342 175.9520 64 D 4.7657 8.1669 120.4473 54.9465 41.3816 175.8298 65 R 4.9393 8.5874 120.8360 54.0785 34.5854 174.5796 66 W 4.9231 8.8491 121.8477 56.4979 30.2069 175.6384 67 A 4.9643 9.4689 124.9644 50.0343 22.5611 175.6705 68 A 4.5075 8.5905 122.6663 51.4903 19.6680 178.3335 69 E 4.3333 9.2059 120.9049 59.7225 29.7549 179.2106 70 D 4.5677 8.4037 117.1979 57.2938 41.0830 176.5228 71 H 5.0873 8.7291 114.5915 55.5457 30.1567 174.5853 72 V 4.6344 7.8789 118.7537 60.9017 33.6060 174.6266 73 L 5.0030 8.8045 127.6570 52.4565 44.8039 175.9924 74 R 4.2020 8.8642 123.1516 56.6139 30.7200 177.2414 75 D 4.6405 8.7215 126.1402 53.8662 39.3335 175.1384 76 T 4.7236 7.5488 116.4314 58.9516 72.2070 172.9175 77 D 4.4037 8.6457 124.9368 57.9222 40.7578 179.2668 78 E 3.9898 8.0892 118.2472 59.2690 29.5453 178.7797 79 N 4.4754 7.9756 115.9261 55.7578 38.7458 177.5958 80 R 3.9263 7.9719 119.9352 59.1127 30.0632 179.0050 81 R 3.9282 8.2195 118.1426 59.2103 29.9618 178.8993 82 L 3.9829 7.6787 120.0396 57.8233 42.0630 178.6868 83 Q 3.8258 8.0728 119.7277 59.3917 29.0275 178.6961 84 R 3.9049 7.9392 118.9839 59.0139 29.8839 179.0390 85 K 3.9861 7.7420 119.5905 59.3898 32.2283 178.9901 86 L 4.0117 8.2389 119.2776 57.4480 41.3831 179.2578 87 A 3.9563 7.9927 121.0228 55.1169 18.3917 179.9327 88 R 3.9093 8.0626 116.7232 59.0384 29.8742 179.4481 89 K 3.9415 7.5252 117.5091 59.5219 32.2093 179.0435 90 A 4.1144 7.8688 119.5021 54.8838 18.2503 179.9315 91 V 3.7327 7.3583 110.1791 64.2842 31.9913 176.2661 92 A 4.1585 7.6485 124.0927 52.4442 18.1908 176.9938 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 *9 F 8.32 4.63 0.00 2.32 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.21 3.81 0.00 1.64 1.43 0.00 1.53 0.00 0.00 1.38 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.41 1.19 7.81 11 F 7.85 5.51 0.00 2.57 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.65 5.22 0.00 3.33 3.40 0.00 5.47 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.64 4.41 0.00 3.94 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 14 G 9.14 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 15 E 7.64 3.95 0.00 1.83 1.79 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 2.33 2.33 0.00 16 K 8.56 4.63 0.00 1.79 1.68 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.45 7.81 17 V 9.17 4.52 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 0.34 0.00 0.00 0.68 0.00 0.00 18 L 8.59 5.10 0.00 1.44 1.38 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.98 5.16 0.00 2.84 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 20 F 9.06 4.62 0.00 2.99 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 21 E 8.83 4.06 0.00 2.12 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 2.51 2.57 0.00 22 P 0.00 4.55 0.00 2.33 2.35 0.00 3.68 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.11 0.00 23 D 7.97 4.67 0.00 2.67 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 24 P 0.00 4.42 0.00 2.23 2.23 0.00 3.84 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 25 T 7.97 4.19 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 1.22 0.00 0.00 26 K 7.95 4.46 0.00 1.82 1.77 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.48 7.81 27 A 8.45 3.85 1.24 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 0.00 0.00 0.00 28 R 8.52 4.09 0.00 1.80 1.94 0.00 3.03 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 29 V 8.02 4.57 1.71 0.00 0.00 0.00 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 0.66 0.00 0.00 30 L 8.04 4.78 0.00 1.24 1.31 0.65 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.74 4.76 0.00 3.09 3.02 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 32 D 8.81 4.80 0.00 2.78 2.65 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 33 A 9.20 4.97 1.06 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 0.00 0.00 34 K 9.08 4.85 0.00 1.70 1.55 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.35 7.81 35 I 8.78 4.09 1.98 0.00 0.00 0.48 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 0.58 0.99 0.00 0.00 36 V 8.52 3.79 2.02 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 0.61 0.00 0.00 0.85 0.00 0.00 37 D 7.74 4.98 0.00 2.70 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 38 V 8.49 5.12 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 0.92 0.00 0.00 0.90 0.00 0.00 39 I 8.56 4.64 2.03 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.31 0.73 0.00 0.00 40 V 8.60 3.92 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 0.71 0.00 0.00 0.90 0.00 0.00 41 G 9.13 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 42 K 8.25 5.13 0.00 1.64 1.63 0.00 1.72 0.00 0.00 1.96 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.37 7.81 43 D 9.00 4.69 0.00 2.85 2.80 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 44 E 8.69 3.62 0.00 1.95 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 2.31 2.39 0.00 45 K 10.02 4.44 0.00 1.73 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.45 7.81 46 G 9.22 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.61 4.12 0.00 2.40 1.77 0.00 3.13 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 48 K 8.63 4.74 0.00 1.61 1.75 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.48 7.81 49 I 8.51 4.76 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 1.25 0.92 0.94 0.00 0.00 50 P 0.00 4.74 0.00 1.54 1.96 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.18 0.00 51 E 9.38 4.84 0.00 1.89 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 0.00 2.12 2.15 0.00 52 Y 8.86 5.33 0.00 2.89 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 53 L 9.39 4.14 0.00 0.27 1.19 -0.14 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.51 4.66 1.51 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 -0.36 0.82 0.00 0.00 55 H 8.59 5.26 0.00 3.17 3.22 0.00 5.81 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 56 F 8.19 5.06 0.00 2.90 2.81 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 0.00 0.00 0.00 0.00 57 N 8.80 4.59 0.00 2.94 2.83 0.00 0.00 7.36 7.21 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 58 G 9.26 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 59 W 7.68 4.70 0.00 3.29 2.88 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 60 N 8.84 4.96 0.00 3.07 3.10 0.00 0.00 5.88 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 61 R 8.65 4.32 0.00 2.06 2.31 0.00 2.97 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 62 S 8.95 4.34 0.00 3.77 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 63 W 8.36 4.63 0.00 3.48 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.17 4.77 0.00 2.63 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.59 4.94 0.00 1.94 1.91 0.00 3.38 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 66 W 8.85 4.92 0.00 3.22 3.17 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 67 A 9.47 4.96 1.32 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 0.00 0.00 68 A 8.59 4.51 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 69 E 9.21 4.33 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.95 0.00 70 D 8.40 4.57 0.00 2.88 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 71 H 8.73 5.09 0.00 3.45 3.52 0.00 5.75 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.88 4.63 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.83 0.00 0.00 73 L 8.80 5.00 0.00 1.62 1.52 1.16 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.86 4.20 0.00 2.00 1.93 0.00 3.34 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 75 D 8.72 4.64 0.00 2.66 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 76 T 7.55 4.72 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 1.29 0.00 0.00 77 D 8.65 4.40 0.00 2.76 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 78 E 8.09 3.99 0.00 1.99 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 2.40 2.35 0.00 79 N 7.98 4.48 0.00 2.80 2.82 0.00 0.00 7.19 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 80 R 7.97 3.93 0.00 2.01 1.95 0.00 3.27 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 81 R 8.22 3.93 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 82 L 7.68 3.98 0.00 1.72 1.83 0.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.07 3.83 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 84 R 7.94 3.90 0.00 1.89 1.94 0.00 3.15 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 85 K 7.74 3.99 0.00 1.83 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 86 L 8.24 4.01 0.00 1.68 1.82 1.02 0.76 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 87 A 7.99 3.96 1.33 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 0.00 0.00 0.00 88 R 8.06 3.91 0.00 2.02 1.97 0.00 3.12 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 89 K 7.53 3.94 0.00 1.86 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.71 7.81 90 A 7.87 4.11 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 91 V 7.36 3.73 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 0.80 0.00 0.00 1.03 0.00 0.00 92 A 7.65 4.16 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 * Residues marked with a * may have inaccurate shift predictions.