NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1578 8.1127 120.8617 56.8909 31.0214 176.4485 3 V 2.9240 8.5743 127.5205 62.2675 31.7925 172.5729 4 K 3.8529 10.0341 120.8620 59.7452 33.4038 177.1869 5 M 3.3193 7.0198 117.0761 53.2375 31.4033 175.3742 6 H 4.6657 8.7096 115.4404 54.8219 30.5345 173.8173 7 V 3.5492 8.3502 111.8573 65.4015 32.1264 179.6909 8 K 4.4821 7.4576 124.4558 57.7746 33.9866 176.9248 9 K 4.5053 7.3131 124.0051 59.1678 33.6187 177.8610 10 G 4.2465 8.5589 102.0022 44.1602 0.0000 170.6671 11 D 5.0196 7.1565 126.3720 53.3988 42.0797 180.4001 12 T 5.0267 8.4330 112.9489 62.5872 72.4033 171.8738 13 V 4.7570 8.5951 119.8343 59.5802 36.3091 173.7314 14 L 5.0243 8.4708 121.9017 53.6973 46.1350 175.5218 15 V 4.6905 8.2286 120.8172 60.8769 33.8476 174.5601 16 A 4.7800 8.8546 129.9548 51.5461 17.8251 174.8273 17 S 4.6711 8.6459 112.5499 57.7759 65.5445 176.0858 18 G 4.2555 8.8137 109.5206 44.4171 0.0000 175.9362 19 K 3.4852 9.4875 128.2423 58.6322 32.3816 175.1715 20 Y 4.4900 7.5678 112.6357 57.8142 39.2068 174.7246 21 K 4.3465 8.9277 123.5364 57.7363 32.6717 175.2853 22 G 4.3304 9.8385 120.3573 46.2079 0.0000 174.0717 23 R 4.0886 7.0855 116.9257 55.9696 31.5958 175.2456 24 V 4.5722 7.9025 118.6066 61.8637 35.4403 173.6159 25 G 3.9483 8.1980 109.8352 46.3155 0.0000 172.2888 26 K 5.0691 8.3687 120.2437 54.5622 34.4945 175.4814 27 V 3.6085 8.0039 117.1216 62.7999 32.4193 177.5127 28 K 4.5514 8.0103 117.5489 55.8172 34.7577 175.8419 29 E 3.6621 8.1930 118.3331 56.6171 26.1205 174.0747 30 V 3.8593 7.4599 118.0829 62.2616 31.9151 174.8525 31 L 4.2188 7.8202 123.6023 54.9118 42.2111 175.6079 32 P 4.8884 0.0000 0.0000 62.0846 32.2626 176.6624 33 K 3.3091 8.1830 119.0453 59.4210 32.1869 177.0818 34 K 4.2065 7.9578 118.3851 55.8014 33.8236 173.6403 35 Y 3.3749 10.0577 120.6057 56.7387 36.3374 166.9465 36 A 4.5742 6.8434 123.2684 51.5952 22.0855 175.3156 37 V 4.4105 8.1337 107.0454 59.1968 35.2628 175.1305 38 I 4.0220 9.3972 126.0372 58.2514 35.6528 177.2263 39 V 4.2303 8.4853 127.5459 65.2358 30.3736 171.5419 40 E 4.7873 9.0749 111.3421 55.7369 32.2465 177.8289 41 G 3.8875 7.3790 105.7044 44.1623 0.0000 174.3751 42 V 2.6641 6.9666 116.8130 60.9488 32.2048 175.5012 43 N 5.4814 8.1882 114.9658 54.7672 44.9623 173.1789 44 I 3.3442 7.7770 122.8114 59.8362 38.5532 174.1228 45 V 3.3879 8.8551 119.6790 64.3436 30.0284 177.3284 46 K 4.1741 8.3471 117.0336 54.6415 34.0514 172.1411 47 K 3.8324 7.7141 117.2708 55.5731 33.2638 173.7613 48 A 3.6121 8.4251 135.0000 52.4160 15.4793 176.0625 49 V 4.3801 8.2426 118.0466 62.9087 37.9786 173.8638 50 R 4.0103 7.8841 119.2298 55.4875 29.1178 176.1051 51 V 3.9474 8.0288 117.6693 63.4144 32.0557 176.3592 52 S 5.1890 7.5966 112.5244 57.4726 63.0427 172.3613 53 P 4.0935 0.0000 0.0000 62.6134 31.4958 174.7651 54 K 3.8567 7.6969 120.8642 56.9910 33.0755 174.4932 55 Y 3.4838 8.0494 128.1534 56.9245 39.5538 170.3570 56 P 4.3819 0.0000 0.0000 62.1210 35.5030 174.8320 57 Q 4.3691 9.0315 127.1809 56.8804 27.4437 176.3280 58 G 4.1231 9.4062 112.3751 45.5533 0.0000 174.3145 59 G 4.2023 8.6123 103.5579 45.6203 0.0000 172.5592 60 F 4.6788 8.5231 115.1158 58.9089 41.2693 176.9884 61 I 3.7900 8.0038 119.6030 64.3027 37.8313 177.4879 62 E 3.7003 8.0468 119.2023 57.4828 27.0805 172.4760 63 K 4.8172 8.2414 123.5284 55.7023 35.3621 173.9727 64 E 5.5595 8.5969 117.0926 54.2076 31.5975 175.9732 65 A 4.1660 8.0329 125.4613 51.3235 19.1601 176.1921 66 P 4.2201 0.0000 0.0000 63.4542 31.7929 175.8905 67 L 3.2750 7.9533 116.5138 55.6620 40.8909 173.4295 68 H 3.7422 8.7340 117.9114 56.7684 29.9460 175.3874 69 A 3.9477 7.9986 128.9751 53.8628 18.0649 177.8470 70 S 4.5007 7.9994 109.1139 58.8561 63.1011 174.7587 71 K 4.2162 8.1047 119.2239 58.6491 32.3579 176.9452 72 V 5.3849 7.3213 110.6939 59.4438 33.8041 175.7975 73 R 4.7394 8.1630 120.7486 53.5857 34.1288 173.4411 74 P 4.6274 0.0000 0.0000 63.2551 33.0325 175.1729 75 I 4.2792 7.6504 115.6558 60.5570 40.3711 172.6995 76 C 4.5695 8.5867 127.3336 59.0240 34.8989 172.6060 77 P 3.8575 0.0000 0.0000 62.4073 28.0011 173.1804 78 A 5.1070 7.6719 123.1668 50.0045 19.8942 177.4403 79 C 3.9714 8.3554 117.9683 60.2902 28.3423 176.0340 80 G 4.4150 10.6430 108.8463 45.0128 0.0000 176.8562 81 K 3.5851 7.8624 118.1097 54.4695 31.6980 172.4154 82 P 4.4111 0.0000 0.0000 63.4706 31.4625 174.9287 83 T 4.4810 8.0328 112.4562 61.0360 69.9907 173.8981 84 R 4.5224 9.2029 128.6257 55.3013 32.7349 175.1195 85 V 4.8668 8.2076 118.8524 61.3604 34.5299 174.4016 86 R 4.8139 9.2725 126.2174 54.2708 33.1166 176.8553 87 K 3.9019 8.7670 122.3339 58.5246 33.0895 179.4149 88 K 4.0241 8.7283 115.7727 55.7322 30.3014 176.3004 89 F 3.8371 8.0459 115.6028 57.5138 37.0180 174.8834 90 L 4.6675 7.3967 120.8949 56.2559 45.3310 173.5080 91 E 4.6689 7.5600 119.4580 54.9678 31.4279 177.4599 92 N 4.8957 7.8787 126.3571 54.4002 41.5416 171.9772 93 G 4.3136 8.0301 112.5122 44.9616 0.0000 170.6586 94 K 5.1272 8.0847 117.7279 54.8397 35.6346 175.6329 95 K 4.4828 8.3380 118.9490 56.1768 36.0001 176.2383 96 I 4.2132 8.7411 128.8093 60.8442 38.2103 176.5539 97 R 4.4945 8.7594 114.0073 55.2665 28.8994 175.0162 98 V 3.5628 8.7503 113.7792 63.4791 33.3410 167.8925 99 C 3.8004 9.2182 126.8358 60.1816 27.4983 171.8286 100 A 4.7446 8.3860 126.5847 51.5017 20.4168 177.3348 101 K 3.8552 8.5131 125.8601 55.9479 32.5586 176.7217 *102 C 4.3630 8.3757 113.9608 58.2958 28.5244 169.2473 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 R 8.11 4.16 0.00 1.83 1.90 0.00 3.43 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 3 V 8.57 2.92 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 0.88 0.00 0.00 0.93 0.00 0.00 4 K 10.03 3.85 0.00 1.82 1.93 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.41 7.81 5 M 7.02 3.32 0.00 2.26 2.18 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 2.63 2.69 0.00 6 H 8.71 4.67 0.00 3.33 3.50 0.00 5.57 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.35 3.55 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 0.74 0.00 0.00 0.94 0.00 0.00 8 K 7.46 4.48 0.00 1.60 1.64 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 9 K 7.31 4.51 0.00 1.91 1.07 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.21 1.20 7.81 10 G 8.56 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 0.00 0.00 0.00 0.00 11 D 7.16 5.02 0.00 2.73 1.77 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 12 T 8.43 5.03 4.24 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 1.25 0.00 0.00 13 V 8.60 4.76 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 1.00 0.00 0.00 0.91 0.00 0.00 14 L 8.47 5.02 0.00 1.75 1.48 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.23 4.69 2.32 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 0.98 0.00 0.00 1.03 0.00 0.00 16 A 8.85 4.78 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 17 S 8.65 4.67 0.00 3.97 3.69 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 18 G 8.81 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 9.49 3.49 0.00 1.81 2.19 0.00 2.05 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.11 1.42 7.81 20 Y 7.57 4.49 0.00 3.09 2.93 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 21 K 8.93 4.35 0.00 1.70 1.76 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.43 7.81 22 G 9.84 4.33 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 0.00 23 R 7.09 4.09 0.00 1.93 1.97 0.00 3.04 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 24 V 7.90 4.57 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 0.87 0.00 0.00 0.99 0.00 0.00 25 G 8.20 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 26 K 8.37 5.07 0.00 1.72 1.76 0.00 1.64 0.00 0.00 2.28 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.54 7.81 27 V 8.00 3.61 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 1.06 0.00 0.00 0.99 0.00 0.00 28 K 8.01 4.55 0.00 1.90 1.85 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.34 7.81 29 E 8.19 3.66 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 2.21 2.33 0.00 30 V 7.46 3.86 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 1.06 0.00 0.00 0.87 0.00 0.00 31 L 7.82 4.22 0.00 1.69 1.59 0.91 0.98 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 32 P 0.00 4.89 0.00 2.11 2.29 0.00 3.74 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 1.92 0.00 33 K 8.18 3.31 0.00 1.89 2.03 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 K 7.96 4.21 0.00 1.74 1.87 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.42 7.81 35 Y 10.06 3.37 0.00 3.05 2.96 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 36 A 6.84 4.57 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 37 V 8.13 4.41 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 0.63 0.00 0.00 0.85 0.00 0.00 38 I 9.40 4.02 2.06 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.95 0.88 0.00 0.00 39 V 8.49 4.23 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 1.22 0.00 0.00 0.90 0.00 0.00 40 E 9.07 4.79 0.00 1.97 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 2.21 2.24 0.00 41 G 7.38 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 0.00 0.00 0.00 42 V 6.97 2.66 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.61 0.00 0.00 43 N 8.19 5.48 0.00 2.67 2.83 0.00 0.00 7.30 7.45 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 44 I 7.78 3.34 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.33 0.89 0.00 0.00 45 V 8.86 3.39 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 0.56 0.00 0.00 0.96 0.00 0.00 46 K 8.35 4.17 0.00 1.68 1.79 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.06 1.10 7.81 47 K 7.71 3.83 0.00 1.70 1.70 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.39 7.81 48 A 8.43 3.61 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.24 4.38 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 0.76 0.00 0.00 0.95 0.00 0.00 50 R 7.88 4.01 0.00 1.96 2.04 0.00 3.34 0.00 0.00 2.96 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 51 V 8.03 3.95 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 0.81 0.00 0.00 0.91 0.00 0.00 52 S 7.60 5.19 0.00 3.97 3.81 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 53 P 0.00 4.09 0.00 2.00 2.16 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 54 K 7.70 3.86 0.00 1.64 1.47 0.00 1.99 0.00 0.00 1.93 0.00 0.00 3.34 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.49 7.81 55 Y 8.05 3.48 0.00 3.19 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 56 P 0.00 4.38 0.00 2.35 2.06 0.00 3.96 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 2.11 2.21 0.00 57 Q 9.03 4.37 0.00 2.07 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 58 G 9.41 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 59 G 8.61 4.20 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 0.00 60 F 8.52 4.68 0.00 2.88 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 61 I 8.00 3.79 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.95 0.00 0.00 62 E 8.05 3.70 0.00 2.24 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 2.15 2.37 0.00 63 K 8.24 4.82 0.00 1.76 1.70 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.41 7.81 64 E 8.60 5.56 0.00 1.84 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 2.19 2.27 0.00 65 A 8.03 4.17 1.14 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 0.00 0.00 0.00 66 P 0.00 4.22 0.00 2.15 2.07 0.00 3.71 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 2.08 2.04 0.00 67 L 7.95 3.28 0.00 1.80 1.63 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.73 3.74 0.00 3.20 3.29 0.00 5.67 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 69 A 8.00 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.00 4.50 0.00 4.11 4.15 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 0.00 0.00 0.00 71 K 8.10 4.22 0.00 1.85 1.85 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.64 1.58 7.81 72 V 7.32 5.38 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 0.80 0.00 0.00 0.87 0.00 0.00 73 R 8.16 4.74 0.00 1.70 1.77 0.00 3.14 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 74 P 0.00 4.63 0.00 2.10 2.19 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.97 0.00 75 I 7.65 4.28 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 1.22 0.91 0.99 0.00 0.00 76 C 8.59 4.57 0.00 2.90 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 77 P 0.00 3.86 0.00 2.16 2.32 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 78 A 7.67 5.11 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 79 C 8.36 3.97 0.00 2.97 3.01 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 80 G 10.64 4.42 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 0.00 81 K 7.86 3.59 0.00 1.89 1.84 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.56 7.81 82 P 0.00 4.41 0.00 2.18 2.04 0.00 3.54 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 83 T 8.03 4.48 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 84 R 9.20 4.52 0.00 1.89 1.86 0.00 3.13 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 85 V 8.21 4.87 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 0.87 0.00 0.00 0.94 0.00 0.00 86 R 9.27 4.81 0.00 1.85 1.75 0.00 3.17 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 87 K 8.77 3.90 0.00 1.87 1.99 0.00 1.72 0.00 0.00 1.19 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.63 7.81 88 K 8.73 4.02 0.00 2.13 2.07 0.00 1.76 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.55 7.81 89 F 8.05 3.84 0.00 3.02 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 90 L 7.40 4.67 0.00 1.75 1.77 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.56 4.67 0.00 1.95 1.12 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 2.23 2.25 0.00 92 N 7.88 4.90 0.00 2.71 2.69 0.00 0.00 7.05 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 93 G 8.03 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 0.00 0.00 0.00 0.00 94 K 8.08 5.13 0.00 1.71 1.71 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.41 7.81 95 K 8.34 4.48 0.00 1.79 1.59 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.63 7.81 96 I 8.74 4.21 2.11 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 0.98 1.29 1.06 0.00 0.00 97 R 8.76 4.49 0.00 1.89 1.95 0.00 3.03 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 98 V 8.75 3.56 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 0.76 0.00 0.00 0.93 0.00 0.00 99 C 9.22 3.80 0.00 3.13 3.13 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 0.00 100 A 8.39 4.74 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 0.00 101 K 8.51 3.86 0.00 1.86 2.04 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.35 7.81 *102 C 8.38 4.36 0.00 2.74 2.73 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 * Residues marked with a * may have inaccurate shift predictions.