NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0973 8.2644 123.5849 52.4859 18.5475 172.0446 2 K 3.4897 7.6442 124.8856 54.9297 30.2913 174.4759 3 Q 3.8582 8.4629 126.2266 59.1082 30.1129 177.6537 4 S 4.0461 8.2205 113.3187 62.1302 62.1657 175.9509 5 M 4.0884 7.5650 118.7189 57.1879 32.0605 178.0690 6 K 4.1734 8.3215 120.4432 58.8568 32.7884 178.1082 7 A 4.0048 7.9617 120.4841 55.1799 18.1591 179.2710 8 R 3.8451 8.1640 116.7476 59.8578 30.1846 178.8245 9 E 3.9279 8.0577 118.3072 58.8426 29.5150 179.0497 10 V 3.5655 7.5694 118.2941 65.7251 31.6481 177.6865 11 K 3.9365 8.2733 119.6029 59.5571 31.9218 179.0157 12 R 3.8885 8.2018 118.4760 59.3295 29.7942 179.2785 13 V 3.5565 7.8457 116.7601 65.6818 31.6542 177.7596 14 A 4.0988 8.2336 120.8742 55.0084 18.3704 179.1815 15 L 3.9815 8.3000 117.1746 58.3235 41.6242 179.6275 16 A 4.0402 7.9121 119.4940 54.8182 18.2294 178.3711 17 D 4.9873 8.1472 115.3096 53.9783 41.0721 178.4667 18 K 3.9838 8.1725 119.1426 59.9936 32.3850 176.6704 19 Y 4.4453 8.1658 115.0322 57.8003 39.0900 176.2939 20 F 4.0659 7.6561 121.3091 58.9097 40.4015 175.9118 21 A 4.2228 8.7932 129.5017 53.5717 18.6463 179.0064 22 K 4.7662 7.3107 121.0857 55.3701 30.4584 181.0819 23 R 3.8244 9.1065 118.7192 58.5347 29.8529 177.9935 24 A 3.7231 7.8568 120.0468 54.2546 18.8939 178.2981 25 E 3.9337 8.6569 115.0212 59.7315 29.6331 177.5479 26 L 4.4115 7.2180 119.4000 52.1186 39.6594 174.8663 27 K 4.2180 7.5505 124.0921 57.1364 35.6674 177.3254 28 A 4.0502 7.5189 122.8153 55.2096 18.7714 178.6923 29 I 3.9304 7.5506 116.7055 64.0281 37.9459 177.9027 30 I 3.8824 8.0145 120.1090 64.3635 37.4180 177.2294 31 S 4.7127 7.5245 113.7956 56.4371 62.3990 172.5667 32 D 4.4394 7.6144 118.8909 53.3268 44.1870 172.8094 33 V 3.7719 7.7789 124.3017 63.0139 30.3849 174.8965 34 N 4.9615 8.6088 121.8257 52.6168 40.5198 174.8644 35 A 4.3492 7.7828 122.3035 50.7283 20.7876 177.1020 *40 R 3.5631 8.1343 117.5753 55.3603 30.6078 174.2468 41 W 4.4636 9.0395 121.9180 56.5957 27.4884 175.4372 42 N 4.3231 8.8935 122.5367 55.5937 38.5305 176.6814 43 A 4.2087 8.1486 117.7031 53.4894 17.4306 179.0352 44 V 3.9735 7.9313 113.2672 64.2601 32.1527 176.4830 45 L 4.4010 7.4967 124.2212 56.1048 43.1003 178.0157 46 K 4.3843 8.0008 116.0396 57.8049 34.0986 178.3531 47 L 4.1268 7.2446 116.7879 56.5053 42.3909 177.1771 48 Q 4.3628 7.6482 120.0958 57.0668 27.8905 176.5236 49 T 4.7009 7.2641 106.4076 60.7701 69.3941 173.7209 50 L 4.3437 7.2755 121.6858 53.9558 44.1851 179.1236 51 P 3.2808 0.0000 0.0000 60.9684 33.7209 174.6625 52 R 4.3016 7.5090 122.6908 56.7938 29.0648 177.0405 53 D 4.4807 7.6410 118.2300 56.5351 41.1404 177.9562 54 S 4.4219 7.3642 113.6548 56.0705 60.2192 172.0438 55 S 3.6393 7.1813 114.2703 56.0100 65.4933 175.5560 56 P 4.4161 0.0000 0.0000 65.4108 31.1678 178.1178 57 S 4.2990 7.8810 110.1910 59.0882 62.9099 174.1835 58 R 4.2628 7.4097 120.8451 57.0905 30.5755 176.4282 59 Q 4.2690 7.7207 116.6299 56.1657 28.7844 175.2110 60 R 4.0347 8.1298 118.2532 55.9216 31.4898 176.2654 61 N 4.1277 7.7178 125.5587 53.3561 36.7329 173.8792 62 R 4.4958 7.6655 121.1839 53.6856 33.1634 174.6570 63 C 3.9076 8.9715 123.0645 59.1959 30.9923 174.2233 64 R 3.9995 8.9599 129.4282 59.2884 29.9217 177.5191 65 Q 4.2892 8.1647 115.2781 57.9152 29.1056 176.4935 66 T 4.1625 8.0938 106.6652 62.2715 69.7623 174.2032 67 G 3.3709 8.0994 118.1229 44.1648 0.0000 173.2809 68 R 3.7905 7.4955 121.2539 56.6195 29.9674 174.3965 69 P 4.9207 0.0000 0.0000 63.1554 31.3854 175.0110 70 H 4.8391 7.8994 116.1119 54.7934 31.8228 173.7935 71 G 4.1151 8.6870 106.2052 46.6246 0.0000 173.8115 72 F 4.8360 7.5733 121.4367 57.4914 40.4081 174.6139 73 L 4.7488 6.2898 122.0238 53.2287 45.1594 177.9665 74 R 4.0937 8.7538 122.1358 59.1083 30.6088 178.7079 75 K 3.5849 8.0331 117.7895 58.8561 31.9642 177.0984 76 F 4.5968 7.1661 111.4841 56.6628 40.5608 176.5632 77 G 3.8248 8.3616 108.3995 45.9491 0.0000 172.7607 78 L 4.9635 6.9813 117.5530 52.8916 46.2948 175.2305 79 S 4.9772 8.2321 115.4320 57.3762 64.9447 176.6030 80 R 3.7349 8.9434 122.6068 59.7915 29.4358 178.0363 81 I 3.6158 8.2273 119.6141 63.9866 36.8211 177.5566 82 K 3.8106 8.2946 122.0811 59.8716 32.3716 179.1802 83 V 3.3923 7.5927 118.3226 65.9659 31.3871 178.1343 84 R 3.7706 8.0776 118.5163 59.4420 29.7413 178.2097 85 E 3.9049 8.3256 117.4056 58.9354 29.5521 178.6844 86 A 4.2484 7.9932 120.3217 54.2032 19.0739 179.0356 87 A 3.8162 7.8945 119.5740 55.8725 18.4531 178.4568 88 M 4.4696 8.0665 111.9310 56.1267 31.7021 176.6433 89 R 4.7140 7.6321 118.4140 55.7452 33.1278 178.7735 90 G 3.7558 9.1565 111.5881 46.1396 0.0000 175.2877 91 E 3.8338 9.7245 122.7116 57.4833 28.7847 174.8117 92 I 4.3098 7.0824 123.2673 58.5366 37.3559 173.2056 93 P 4.3293 0.0000 0.0000 63.8401 31.5848 177.7683 94 G 3.9411 8.8763 110.1936 45.3799 0.0000 172.8235 95 L 4.5248 7.4623 122.1181 53.3244 42.7974 175.5205 96 K 4.6214 8.1676 123.6330 54.8728 35.5775 175.7297 97 K 3.9212 8.6242 119.2139 56.8001 32.0445 177.0298 98 A 4.7445 8.4026 127.0572 51.1439 20.8851 175.1157 99 S 4.6169 7.8474 112.9397 57.5162 65.6583 174.8056 100 W 4.1713 7.9580 116.8244 57.4195 27.2033 174.2525 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 1 A 8.26 4.10 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 2 K 7.64 3.49 0.00 2.06 1.84 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.49 7.81 3 Q 8.46 3.86 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 4 S 8.22 4.05 0.00 3.92 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 M 7.56 4.09 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.70 0.00 6 K 8.32 4.17 0.00 1.74 1.99 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.45 7.81 7 A 7.96 4.00 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 8 R 8.16 3.85 0.00 2.01 2.01 0.00 3.12 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 9 E 8.06 3.93 0.00 2.09 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 2.26 2.32 0.00 10 V 7.57 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 1.00 0.00 0.00 11 K 8.27 3.94 0.00 1.86 1.97 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 12 R 8.20 3.89 0.00 2.04 1.92 0.00 3.14 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 13 V 7.85 3.56 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 0.81 0.00 0.00 0.92 0.00 0.00 14 A 8.23 4.10 1.40 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 15 L 8.30 3.98 0.00 1.86 1.88 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.91 4.04 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 17 D 8.15 4.99 0.00 2.81 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 18 K 8.17 3.98 0.00 1.60 1.65 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.74 7.81 19 Y 8.17 4.45 0.00 3.26 2.91 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 20 F 7.66 4.07 0.00 3.06 3.10 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 21 A 8.79 4.22 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 0.00 0.00 22 K 7.31 4.77 0.00 1.87 1.13 0.00 1.54 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.45 7.81 23 R 9.11 3.82 0.00 2.02 2.03 0.00 3.27 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 24 A 7.86 3.72 -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 0.00 0.00 0.00 25 E 8.66 3.93 0.00 2.09 2.50 0.00 0.00 0.00 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 2.31 0.00 26 L 7.22 4.41 0.00 1.79 1.67 0.94 0.85 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 27 K 7.55 4.22 0.00 1.89 1.92 0.00 1.39 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.18 1.38 7.81 28 A 7.52 4.05 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 29 I 7.55 3.93 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.58 0.97 0.00 0.00 30 I 8.01 3.88 1.92 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 1.55 0.42 0.93 0.00 0.00 31 S 7.52 4.71 0.00 3.94 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 4.44 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.77 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 0.85 0.00 0.00 0.91 0.00 0.00 34 N 8.61 4.96 0.00 2.74 2.83 0.00 0.00 6.85 7.72 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 35 A 7.78 4.35 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 R 8.13 3.56 0.00 1.35 1.42 0.00 2.51 0.00 0.00 2.70 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 W 9.04 4.46 0.00 3.45 3.25 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 0.00 42 N 8.89 4.32 0.00 2.81 2.86 0.00 0.00 7.01 8.15 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 43 A 8.15 4.21 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 44 V 7.93 3.97 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 0.77 0.00 0.00 0.92 0.00 0.00 45 L 7.50 4.40 0.00 1.56 1.62 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.00 4.38 0.00 1.84 1.79 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.33 7.81 47 L 7.24 4.13 0.00 1.45 1.69 0.93 0.77 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 48 Q 7.65 4.36 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.11 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 49 T 7.26 4.70 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 1.28 0.00 0.00 50 L 7.28 4.34 0.00 1.61 1.05 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.28 0.00 2.05 2.19 0.00 2.96 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.05 0.00 52 R 7.51 4.30 0.00 1.94 2.05 0.00 3.11 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.35 0.00 53 D 7.64 4.48 0.00 2.69 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 54 S 7.36 4.42 0.00 4.03 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 55 S 7.18 3.64 0.00 3.06 3.28 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 56 P 0.00 4.42 0.00 2.23 2.29 0.00 3.50 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 57 S 7.88 4.30 0.00 3.95 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 58 R 7.41 4.26 0.00 1.69 1.95 0.00 3.18 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 59 Q 7.72 4.27 0.00 2.37 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.37 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 60 R 8.13 4.03 0.00 1.64 2.19 0.00 3.15 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 61 N 7.72 4.13 0.00 2.37 1.92 0.00 0.00 6.67 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 62 R 7.67 4.50 0.00 1.75 1.89 0.00 3.24 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 63 C 8.97 3.91 0.00 3.17 3.10 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 64 R 8.96 4.00 0.00 2.02 2.06 0.00 3.40 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 65 Q 8.16 4.29 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 66 T 8.09 4.16 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 1.23 0.00 0.00 67 G 8.10 3.37 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 0.00 68 R 7.50 3.79 0.00 2.00 1.95 0.00 3.11 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 69 P 0.00 4.92 0.00 2.19 2.10 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 70 H 7.90 4.84 0.00 3.20 3.25 0.00 5.77 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 71 G 8.69 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 7.57 4.84 0.00 3.21 2.95 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 73 L 6.29 4.75 0.00 1.77 1.55 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.75 4.09 0.00 1.85 2.00 0.00 3.37 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.63 0.00 75 K 8.03 3.58 0.00 1.24 0.74 0.00 1.28 0.00 0.00 1.40 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.45 0.21 7.81 76 F 7.17 4.60 0.00 2.95 2.97 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 77 G 8.36 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 78 L 6.98 4.96 0.00 1.56 1.45 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.23 4.98 0.00 3.92 3.90 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 80 R 8.94 3.73 0.00 1.99 2.16 0.00 2.80 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 81 I 8.23 3.62 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.69 0.90 0.00 0.00 82 K 8.29 3.81 0.00 1.74 1.86 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.46 7.81 83 V 7.59 3.39 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 0.74 0.00 0.00 0.63 0.00 0.00 84 R 8.08 3.77 0.00 1.84 2.11 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 85 E 8.33 3.90 0.00 2.05 1.99 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 2.50 2.46 0.00 86 A 7.99 4.25 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 87 A 7.89 3.82 1.25 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 0.00 0.00 0.00 88 M 8.07 4.47 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.81 0.00 89 R 7.63 4.71 0.00 1.83 1.85 0.00 3.27 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 90 G 9.16 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 91 E 9.72 3.83 0.00 2.19 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 2.44 2.35 0.00 92 I 7.08 4.31 1.81 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 1.39 1.45 0.96 0.00 0.00 93 P 0.00 4.33 0.00 2.07 2.01 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 94 G 8.88 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 0.00 0.00 0.00 95 L 7.46 4.52 0.00 1.64 1.73 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.17 4.62 0.00 1.84 1.73 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.54 7.81 97 K 8.62 3.92 0.00 1.78 1.84 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.44 7.81 98 A 8.40 4.74 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 99 S 7.85 4.62 0.00 3.91 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 0.00 100 W 7.96 4.17 0.00 3.35 3.12 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.