NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.5047 8.0700 122.2715 52.1264 21.4949 176.0120 3 Q 4.7649 7.8674 113.5196 54.6596 31.9749 171.5962 4 K 4.5357 9.3259 124.5947 55.9714 36.7737 173.8445 5 T 5.2994 7.7896 119.2300 62.0348 72.4366 173.2583 6 F 5.7588 9.5921 122.5336 55.2255 44.3722 173.5983 7 T 4.9567 8.4572 110.7476 60.3506 70.2637 174.4816 8 V 3.9178 8.7572 121.4835 61.8575 31.6184 176.2997 9 T 4.1967 9.0512 119.0501 62.9111 68.7530 175.0826 10 A 3.9280 7.3762 123.1311 52.7367 18.6221 178.1368 11 D 4.5071 8.6983 122.3943 56.5354 41.2467 177.7389 12 S 4.1866 8.0331 112.4474 58.4018 63.6850 175.0576 13 G 3.7700 7.5847 107.7910 44.5888 0.0000 172.9840 14 I 3.8675 7.2970 118.7439 60.9337 36.9758 174.0508 15 H 4.6037 8.4668 124.2264 55.6415 33.5252 174.1315 16 A 3.5776 8.6374 122.7241 53.1111 17.6943 178.3806 17 R 3.8837 8.7052 110.8185 60.5377 30.2211 176.6601 18 P 4.1428 0.0000 0.0000 65.6835 31.4357 178.3893 19 A 3.9260 8.0165 119.4766 55.4563 18.2491 179.8787 20 T 3.9707 8.0652 108.4840 64.7705 68.8412 176.1796 21 T 4.0873 8.3418 112.2007 63.0398 69.0475 176.6743 22 L 3.9192 7.5471 123.6120 58.1349 42.4806 178.5708 23 V 3.9286 8.0375 119.8386 65.3074 31.0186 177.8428 24 Q 3.8919 7.6457 118.4840 58.8868 29.3968 177.1274 25 A 4.0719 7.7875 121.4059 55.3944 18.3534 179.0640 26 A 4.0727 8.3341 119.1957 55.8056 18.3004 179.9216 27 S 4.3624 7.8358 112.1034 61.1166 63.1016 176.1888 28 K 4.0187 7.3745 119.8473 56.0233 32.3450 176.1027 29 F 5.0918 7.7988 116.8604 56.2921 42.2369 174.9899 30 D 4.5455 8.9571 123.3796 55.8836 39.9191 177.1048 31 S 4.3578 10.6099 114.9711 58.9091 63.8797 174.1126 32 D 4.7146 9.0409 122.7388 54.2965 42.0527 175.6752 33 I 5.1170 8.3516 122.4362 59.7062 41.4584 174.0854 34 N 5.6387 9.3651 122.5320 51.3957 43.4945 172.9517 35 L 5.0973 9.1633 122.8863 53.4486 44.7778 174.5307 36 E 5.0301 9.1296 128.0084 53.9356 32.0626 174.4811 37 F 4.6617 10.0432 126.4863 57.8868 43.5752 173.3436 38 N 3.6477 8.8965 125.3783 54.8573 36.8609 173.9758 39 G 3.9364 7.5011 101.8006 46.1216 0.0000 172.8769 40 K 4.8030 8.0434 118.9097 54.8867 35.1659 175.5131 41 T 5.2530 8.1995 117.9462 62.4408 73.0686 173.3620 42 V 4.4743 8.8838 118.1539 59.1591 37.0020 174.1399 43 N 4.8591 8.7207 120.9007 53.8478 38.7019 174.6683 44 L 4.0621 9.0395 129.7258 56.2541 43.0116 177.2069 45 K 4.6279 8.3467 120.9613 55.8288 31.2140 176.4825 *47 I 4.1887 7.4782 116.0136 61.1344 39.8819 178.1128 48 M 3.7465 8.3252 119.4739 58.0581 31.5458 176.8973 49 G 3.6352 7.4883 107.7151 47.3590 0.0000 175.0827 50 V 3.4941 7.9016 118.4301 65.5742 31.7571 178.4874 51 M 4.2006 8.6312 117.8394 57.0847 31.9983 177.5427 52 S 4.3313 7.9857 113.0023 60.1965 63.6867 175.7597 53 L 4.0126 7.3869 121.3846 58.1814 41.3528 179.1545 54 G 3.8812 8.1105 104.2684 45.4065 0.0000 172.9035 55 I 2.9372 7.5189 120.4887 61.4102 36.9409 176.3316 56 Q 4.5675 8.3664 125.0084 54.1702 30.1250 177.0763 57 K 3.9241 8.6669 117.8442 59.7152 32.4530 177.9940 58 G 3.9080 7.9736 105.1948 45.0157 0.0000 173.3552 59 A 4.5283 7.7147 122.7056 52.2933 19.8192 176.6438 60 T 5.2433 8.6316 109.6963 60.0291 71.0552 173.7895 61 I 5.1456 9.0082 117.4098 59.6809 41.9430 173.8575 62 T 5.2061 9.0310 120.0377 61.8542 71.8402 172.8217 63 I 5.0323 9.1920 127.3358 59.4460 40.1443 174.1645 64 S 5.2852 8.7022 123.6467 56.6864 66.2996 173.1393 65 A 5.2097 8.8624 122.7900 50.7594 22.9169 174.9777 66 E 4.6930 10.0399 121.0837 53.9480 32.7375 175.9805 67 G 4.0414 8.7518 112.1230 45.1242 0.0000 172.0741 68 S 4.1044 8.5499 113.2206 61.7845 62.7848 175.6741 69 D 4.2414 8.5095 121.5919 55.5098 39.0562 181.1412 70 E 3.3314 8.6285 118.9959 57.9850 31.7475 177.9933 71 A 3.9063 7.5145 119.8835 55.1065 18.4851 179.1449 72 D 3.8954 8.0428 116.1504 57.2062 40.9005 179.1360 73 A 2.5800 6.9314 120.9545 54.2236 18.4677 179.5131 74 L 4.0329 8.4798 117.9765 57.3373 41.7203 179.5183 75 A 3.9967 7.8434 120.4412 55.3045 18.4760 178.6969 76 A 3.9966 7.8253 118.9071 55.6117 18.0197 179.6258 77 L 4.0058 8.4168 116.5450 57.5166 41.5669 179.8699 78 E 4.0867 7.8276 118.5476 59.6175 29.9662 177.5161 79 D 4.4061 8.6623 118.5854 57.8342 41.2461 178.2160 80 T 4.0220 8.3134 110.3178 65.1900 68.5483 176.0850 81 M 4.2028 7.7624 120.7689 57.5197 31.8118 178.4068 82 S 4.1686 8.4836 113.7852 60.8780 62.6586 175.7813 83 K 3.8394 8.0409 119.0868 59.8955 32.0052 178.6390 84 E 4.1725 8.5070 116.6042 56.6566 29.4892 177.4991 85 G 4.0161 8.4075 107.8924 46.3330 0.0000 176.1846 86 L 3.8507 8.3521 122.8739 55.5285 41.7305 177.6142 87 G 4.0789 7.2453 105.0594 46.2086 0.0000 172.1089 88 E 4.8938 8.1083 116.6573 57.1399 29.7326 175.4258 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 A 8.07 4.50 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 3 Q 7.87 4.76 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 4 K 9.33 4.54 0.00 1.85 1.68 0.00 1.27 0.00 0.00 1.49 0.00 0.00 2.24 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.06 0.48 7.81 5 T 7.79 5.30 4.14 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 0.00 0.00 0.00 1.26 0.00 0.00 6 F 9.59 5.76 0.00 2.96 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 7 T 8.46 4.96 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 1.26 0.00 0.00 8 V 8.76 3.92 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 0.61 0.00 0.00 0.98 0.00 0.00 9 T 9.05 4.20 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 1.30 0.00 0.00 10 A 7.38 3.93 1.35 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 0.00 0.00 11 D 8.70 4.51 0.00 2.68 2.75 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 12 S 8.03 4.19 0.00 3.98 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 13 G 7.58 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 0.00 0.00 0.00 14 I 7.30 3.87 1.74 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.00 0.73 0.00 0.00 15 H 8.47 4.60 0.00 3.16 3.12 0.00 5.81 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 16 A 8.64 3.58 1.23 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 0.00 0.00 17 R 8.71 3.88 0.00 1.82 1.99 0.00 3.32 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 18 P 0.00 4.14 0.00 2.26 2.08 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 19 A 8.02 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 20 T 8.07 3.97 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 1.20 0.00 0.00 21 T 8.34 4.09 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 1.19 0.00 0.00 22 L 7.55 3.92 0.00 1.92 1.74 0.85 0.47 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 23 V 8.04 3.93 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 1.32 0.00 0.00 0.94 0.00 0.00 24 Q 7.65 3.89 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 25 A 7.79 4.07 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 26 A 8.33 4.07 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.84 4.36 0.00 4.01 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 28 K 7.37 4.02 0.00 1.61 1.00 0.00 1.59 0.00 0.00 1.43 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.18 1.29 7.81 29 F 7.80 5.09 0.00 3.15 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 30 D 8.96 4.55 0.00 2.82 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 31 S 10.61 4.36 0.00 3.92 3.89 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 32 D 9.04 4.71 0.00 2.58 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 5.12 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 1.03 0.00 0.00 34 N 9.37 5.64 0.00 2.67 2.74 0.00 0.00 6.21 6.87 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 35 L 9.16 5.10 0.00 1.69 1.51 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.13 5.03 0.00 2.11 1.83 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 2.26 2.17 0.00 37 F 10.04 4.66 0.00 3.09 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 38 N 8.90 3.65 0.00 1.44 2.33 0.00 0.00 7.13 7.98 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 39 G 7.50 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 40 K 8.04 4.80 0.00 1.95 1.78 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.59 7.81 41 T 8.20 5.25 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 1.28 0.00 0.00 42 V 8.88 4.47 2.09 0.00 0.00 0.00 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 0.95 0.00 0.00 43 N 8.72 4.86 0.00 2.73 2.76 0.00 0.00 6.94 7.78 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 44 L 9.04 4.06 0.00 1.75 1.67 0.92 0.58 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 45 K 8.35 4.63 0.00 1.90 1.78 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.31 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.40 7.81 *47 I 7.48 4.19 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 1.29 0.82 0.89 0.00 0.00 48 M 8.33 3.75 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 49 G 7.49 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.90 3.49 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 0.90 0.00 0.00 0.91 0.00 0.00 51 M 8.63 4.20 0.00 2.01 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 52 S 7.99 4.33 0.00 3.98 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 7.39 4.01 0.00 1.70 1.59 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.11 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 55 I 7.52 2.94 1.53 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.36 0.53 0.00 0.00 56 Q 8.37 4.57 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 57 K 8.67 3.92 0.00 2.12 1.96 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.46 7.81 58 G 7.97 3.91 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 0.00 0.00 0.00 59 A 7.71 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.63 5.24 4.31 0.00 0.00 0.00 0.00 0.00 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 61 I 9.01 5.15 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.97 1.06 0.00 0.00 62 T 9.03 5.21 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 1.33 0.00 0.00 63 I 9.19 5.03 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 1.33 1.43 1.28 0.00 0.00 64 S 8.70 5.29 0.00 4.04 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 65 A 8.86 5.21 1.20 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 0.00 0.00 66 E 10.04 4.69 0.00 1.94 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 0.00 2.18 2.23 0.00 67 G 8.75 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.55 4.10 0.00 3.99 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 69 D 8.51 4.24 0.00 2.96 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 3.33 0.00 2.24 2.29 0.00 0.00 0.00 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 2.49 0.00 71 A 7.51 3.91 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 72 D 8.04 3.90 0.00 2.61 2.74 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 73 A 6.93 2.58 0.93 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 74 L 8.48 4.03 0.00 1.69 1.70 1.06 0.69 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 75 A 7.84 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.83 4.00 1.67 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 0.00 0.00 0.00 77 L 8.42 4.01 0.00 1.75 1.75 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.83 4.09 0.00 2.40 2.25 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 2.43 2.59 0.00 79 D 8.66 4.41 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 4.02 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 1.22 0.00 0.00 81 M 7.76 4.20 0.00 1.66 2.14 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.51 0.00 82 S 8.48 4.17 0.00 3.87 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 83 K 8.04 3.84 0.00 1.75 1.87 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.56 7.81 84 E 8.51 4.17 0.00 1.96 1.97 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 2.46 2.44 0.00 85 G 8.41 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 0.00 0.00 0.00 86 L 8.35 3.85 0.00 1.67 1.61 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 87 G 7.25 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 4.89 0.00 2.20 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 0.00 2.20 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.