NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9227 8.3549 109.7375 45.6546 0.0000 172.8546 1 T 4.4021 8.0753 114.7281 61.3162 71.8483 171.5799 2 I 4.7059 9.3212 128.9488 59.5621 39.9317 174.8311 3 I 4.5747 8.7942 127.7146 59.7641 39.9334 174.5574 4 T 5.1547 8.6915 123.3581 61.7922 70.7351 173.7008 5 V 4.4759 8.9922 126.6479 61.2900 34.8543 174.0604 6 T 5.0671 8.5777 123.6675 61.9007 70.3894 173.4370 7 A 4.6595 8.7633 126.5937 50.7898 23.4872 174.2288 8 Q 4.6281 8.4628 120.1047 54.8403 30.6243 176.3878 9 A 4.3459 8.8500 129.4472 51.4282 16.8516 176.4171 10 N 4.9245 8.8274 120.1146 51.3408 40.7734 176.0901 11 E 4.0081 8.7484 120.6224 58.7563 29.9325 178.0568 12 K 4.1327 8.0231 117.4679 58.7850 33.1546 177.0766 13 N 5.0104 7.9348 115.1986 52.3838 38.6113 174.1038 14 T 5.1554 7.8662 114.9273 62.5339 72.2761 173.3586 15 R 4.7357 8.6896 121.6067 54.6679 33.3539 174.1350 16 T 5.0079 8.3965 116.5969 62.3121 70.3545 174.5462 17 V 4.5968 8.6150 118.2268 59.4747 36.3423 174.9251 18 S 4.6513 8.7317 119.7326 58.6867 63.4364 173.7930 19 T 4.5383 8.2872 119.5335 59.6249 69.7746 173.3895 20 A 4.1776 8.6623 124.5128 54.7544 18.3711 178.1849 21 K 4.3780 7.8260 113.6521 52.9426 32.5345 175.7451 22 G 3.9336 8.0874 109.0006 44.0239 0.0000 169.5316 23 D 5.0672 8.2052 118.4906 54.2234 41.3641 176.6655 24 K 4.7877 9.0461 121.7811 54.5526 36.8514 175.5341 25 K 4.7991 8.6351 122.1706 55.7902 34.2258 175.6641 26 I 4.6899 8.6418 124.6776 59.3977 40.5553 174.2694 27 I 4.7517 8.5123 126.4471 59.2461 40.6812 173.8358 28 S 5.2451 8.7172 123.8836 56.8814 63.6904 173.6344 29 V 4.7917 8.7284 119.9627 58.6675 35.5149 173.3803 30 P 4.0270 0.0000 0.0000 62.9532 31.6179 176.1017 31 L 4.5526 7.4219 121.2593 55.0806 42.7714 175.7108 32 F 4.6812 6.6827 111.9046 56.4580 40.1316 172.3368 33 E 4.7773 8.8174 119.5019 54.3904 32.2505 175.3373 34 K 4.7274 8.1146 118.6244 54.7293 34.8340 175.1521 35 E 3.8586 7.9424 118.7375 58.7621 29.9805 176.8482 *38 S 4.2196 7.5112 115.3092 58.5450 63.6345 173.4825 39 N 4.9797 8.5811 124.0273 53.3835 39.2707 174.6815 40 V 4.1354 7.0304 109.0265 59.5321 32.9355 175.8098 41 K 4.3111 8.4119 124.1922 55.2822 32.6511 176.4886 42 V 3.4697 8.2971 126.3933 62.2193 32.5141 174.7304 43 A 4.3414 7.0397 128.3163 51.1975 20.2928 175.3555 44 Y 4.9047 8.5941 119.3102 56.1035 40.6537 175.5217 45 G 4.3977 9.1267 111.1396 44.9886 0.0000 172.5352 46 S 5.6580 9.1076 117.8033 56.7465 66.0755 173.2510 47 A 4.9287 8.2854 123.2165 50.3744 22.6728 175.9326 48 F 4.5968 8.9625 120.6515 57.6771 39.8630 174.6521 49 L 4.7550 8.4589 122.0499 52.1243 43.7299 175.1429 50 P 4.3926 0.0000 0.0000 62.3905 32.0365 177.1436 51 D 4.3999 8.7358 120.7131 57.5525 40.8323 178.4372 52 F 4.4365 7.9276 112.3901 58.8352 38.3545 175.6795 53 I 3.8251 6.6311 123.4146 61.3006 37.3496 175.3692 54 Q 4.6585 9.0636 124.5674 53.5233 30.9652 175.1797 55 L 4.3819 8.2340 120.9239 56.0170 41.9781 176.6731 56 G 4.1324 8.8479 113.7326 45.9569 0.0000 174.2469 57 D 4.5105 8.3219 119.6943 54.7764 42.2517 175.7341 58 T 4.8889 8.3722 118.4107 62.1750 70.7145 174.0879 59 V 4.8699 8.6906 119.3578 59.7939 35.9498 174.5511 60 T 4.9799 8.7782 120.0242 61.9950 70.6770 173.6675 61 V 4.7240 8.5191 126.7408 61.0841 34.1341 174.3973 62 S 5.1346 9.1604 121.8642 55.8328 66.2166 174.2542 63 G 4.4520 8.3192 113.6305 45.4883 0.0000 171.1600 64 R 4.5622 7.9790 118.1383 55.7459 31.3665 176.0430 65 V 4.4823 8.1605 122.6505 61.0606 33.4947 174.2086 66 Q 4.6872 8.8843 129.1493 54.2296 31.5556 173.8710 67 A 4.8188 8.6197 128.1181 50.8991 20.0237 176.3286 68 K 4.5509 8.7963 122.7701 54.8291 34.8578 175.8237 69 E 5.4903 8.4403 123.5127 54.6870 31.1410 175.1425 *73 Y 4.1768 8.0410 121.2737 57.6593 39.2019 174.4279 74 V 5.4297 8.1232 121.3927 58.9871 33.8645 174.5913 75 N 4.8706 8.2467 119.7683 51.5347 42.6151 172.8940 76 Y 4.9530 8.4677 120.4863 56.9097 39.5996 174.1146 77 N 5.4841 8.9180 122.4617 51.1630 42.0696 174.2634 78 F 4.5459 9.3573 122.9990 57.3893 39.9115 175.2683 79 V 3.7556 8.4863 124.4183 61.4887 31.7653 176.3274 80 F 3.9724 7.8672 128.2795 58.0159 36.1045 173.5565 81 P 4.8697 0.0000 0.0000 62.6851 33.3574 177.8024 82 T 4.3085 8.7577 118.2788 63.4241 69.6991 174.0288 83 V 5.0636 8.3952 125.5760 61.0235 34.3855 174.3060 84 E 4.8557 8.9371 124.9714 54.2975 33.2113 174.6725 85 K 4.3677 8.7786 123.6573 56.4195 33.2173 175.8113 86 V 4.0686 8.5860 127.5835 61.2063 32.9158 175.1562 87 F 4.6089 8.5729 126.9613 56.6948 39.4578 175.1323 88 I 4.6017 8.3772 125.9502 59.7758 40.1530 174.8472 89 T 4.6866 8.3683 120.5582 61.5041 71.6267 172.8898 90 N 4.7164 8.3306 119.4679 52.4285 39.4912 175.2688 91 D 4.5647 8.3376 121.1770 54.1807 42.0355 176.2784 92 N 4.8535 8.6034 119.6976 53.8486 38.7226 175.6277 93 S 4.2072 7.7651 118.0058 58.5210 63.2554 173.7045 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 0 G 8.35 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 T 8.08 4.40 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 2 I 9.32 4.71 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 0.97 0.00 0.00 3 I 8.79 4.57 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 1.01 0.00 0.00 4 T 8.69 5.15 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 1.24 0.00 0.00 5 V 8.99 4.48 2.08 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 1.07 0.00 0.00 1.10 0.00 0.00 6 T 8.58 5.07 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 1.22 0.00 0.00 7 A 8.76 4.66 1.17 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 0.00 0.00 8 Q 8.46 4.63 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.41 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 9 A 8.85 4.35 1.19 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 0.00 0.00 10 N 8.83 4.92 0.00 2.81 2.72 0.00 0.00 6.63 7.37 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 11 E 8.75 4.01 0.00 1.88 1.96 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 2.27 2.33 0.00 12 K 8.02 4.13 0.00 1.85 1.89 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.37 7.81 13 N 7.93 5.01 0.00 2.86 2.93 0.00 0.00 6.61 7.10 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 14 T 7.87 5.16 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 1.20 0.00 0.00 15 R 8.69 4.74 0.00 1.83 1.93 0.00 2.70 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 16 T 8.40 5.01 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 1.22 0.00 0.00 17 V 8.62 4.60 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 0.73 0.00 0.00 1.07 0.00 0.00 18 S 8.73 4.65 0.00 3.77 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 19 T 8.29 4.54 4.29 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 0.00 0.00 1.27 0.00 0.00 20 A 8.66 4.18 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 K 7.83 4.38 0.00 1.68 1.71 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.38 7.81 22 G 8.09 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 23 D 8.21 5.07 0.00 2.57 2.64 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 24 K 9.05 4.79 0.00 1.83 1.82 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.41 7.81 25 K 8.64 4.80 0.00 1.69 1.67 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.45 7.81 26 I 8.64 4.69 1.69 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 0.29 1.05 0.69 0.00 0.00 27 I 8.51 4.75 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.54 0.85 0.00 0.00 28 S 8.72 5.25 0.00 3.83 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 29 V 8.73 4.79 2.12 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 0.65 0.00 0.00 1.08 0.00 0.00 30 P 0.00 4.03 0.00 1.82 1.79 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 31 L 7.42 4.55 0.00 1.25 1.65 0.57 0.71 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 32 F 6.68 4.68 0.00 2.98 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 33 E 8.82 4.78 0.00 1.98 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 2.20 2.24 0.00 34 K 8.11 4.73 0.00 1.86 1.84 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.44 7.81 35 E 7.94 3.86 0.00 1.99 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 2.32 2.30 0.00 *38 S 7.51 4.22 0.00 3.88 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 39 N 8.58 4.98 0.00 2.68 2.75 0.00 0.00 7.04 7.71 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 40 V 7.03 4.14 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 0.71 0.00 0.00 1.01 0.00 0.00 41 K 8.41 4.31 0.00 1.77 1.79 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.50 7.81 42 V 8.30 3.47 1.82 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 -0.18 0.00 0.00 0.83 0.00 0.00 43 A 7.04 4.34 0.74 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 44 Y 8.59 4.90 0.00 2.86 2.86 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 45 G 9.13 4.40 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 0.00 46 S 9.11 5.66 0.00 3.93 3.66 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 0.00 0.00 0.00 0.00 47 A 8.29 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.96 4.60 0.00 2.94 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 49 L 8.46 4.75 0.00 1.43 1.41 0.82 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.39 0.00 1.62 1.99 0.00 3.39 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 51 D 8.74 4.40 0.00 2.72 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 52 F 7.93 4.44 0.00 3.14 3.21 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 0.00 53 I 6.63 3.83 1.69 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 0.98 -0.36 0.78 0.00 0.00 54 Q 9.06 4.66 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 55 L 8.23 4.38 0.00 1.62 1.60 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.85 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 0.00 0.00 0.00 0.00 57 D 8.32 4.51 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.37 4.89 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 1.22 0.00 0.00 59 V 8.69 4.87 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 0.73 0.00 0.00 0.83 0.00 0.00 60 T 8.78 4.98 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 1.20 0.00 0.00 61 V 8.52 4.72 1.63 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 -0.01 0.00 0.00 0.69 0.00 0.00 62 S 9.16 5.13 0.00 3.94 3.67 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 63 G 8.32 4.45 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 0.00 0.00 0.00 64 R 7.98 4.56 0.00 1.82 1.86 0.00 3.40 0.00 0.00 3.28 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.52 0.00 65 V 8.16 4.48 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 0.60 0.00 0.00 -0.21 0.00 0.00 66 Q 8.88 4.69 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 67 A 8.62 4.82 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 68 K 8.80 4.55 0.00 1.64 1.67 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.33 7.81 69 E 8.44 5.49 0.00 1.90 1.82 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 2.26 2.27 0.00 *73 Y 8.04 4.18 0.00 3.06 2.90 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 74 V 8.12 5.43 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 0.57 0.00 0.00 0.43 0.00 0.00 75 N 8.25 4.87 0.00 2.59 2.65 0.00 0.00 7.07 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.47 4.95 0.00 3.10 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 77 N 8.92 5.48 0.00 2.59 2.69 0.00 0.00 6.67 8.00 0.00 0.00 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 F 9.36 4.55 0.00 3.01 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 79 V 8.49 3.76 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 0.79 0.00 0.00 0.93 0.00 0.00 80 F 7.87 3.97 0.00 3.25 3.05 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 81 P 0.00 4.87 0.00 2.04 2.23 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 82 T 8.76 4.31 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 1.24 0.00 0.00 83 V 8.40 5.06 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 0.74 0.00 0.00 0.93 0.00 0.00 84 E 8.94 4.86 0.00 2.06 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 2.17 2.22 0.00 85 K 8.78 4.37 0.00 1.89 1.43 0.00 1.95 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.00 1.32 7.81 86 V 8.59 4.07 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 0.80 0.00 0.00 0.90 0.00 0.00 87 F 8.57 4.61 0.00 3.14 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 88 I 8.38 4.60 1.89 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 1.43 0.62 0.93 0.00 0.00 89 T 8.37 4.69 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 90 N 8.33 4.72 0.00 2.72 2.74 0.00 0.00 6.81 8.06 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 91 D 8.34 4.56 0.00 2.76 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 92 N 8.60 4.85 0.00 2.76 2.84 0.00 0.00 6.70 7.57 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 93 S 7.77 4.21 0.00 3.95 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 * Residues marked with a * may have inaccurate shift predictions.