NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8223 8.1476 120.6232 55.5159 34.3446 173.6711 2 V 4.7537 8.6994 125.6934 59.0158 34.3866 172.6588 3 L 4.5284 9.1182 128.0882 53.5877 44.2800 176.1001 4 I 4.8708 8.5322 127.6514 59.6993 39.3745 174.4527 5 L 5.0187 9.1360 127.8417 52.7830 44.7443 175.4655 6 N 5.3080 8.9091 120.7070 51.7049 41.9852 175.1138 7 G 4.4265 8.8822 112.3316 42.5918 0.0000 171.5394 8 P 4.4604 0.0000 0.0000 64.3286 31.7710 177.2528 9 N 4.5407 9.4723 116.4667 53.8297 37.7811 176.5492 10 L 4.0334 7.5953 118.1173 57.0511 41.8594 178.8360 11 N 4.3903 8.2588 115.1630 55.0990 37.1963 175.4247 12 L 4.4744 7.8568 118.1856 53.9658 42.1168 175.8285 13 L 3.7801 7.3587 122.3345 56.7697 42.5105 176.5891 14 G 4.2459 9.0756 118.1681 46.8035 0.0000 175.4111 15 R 4.0117 7.9169 118.2732 57.8500 30.4600 176.9902 16 R 4.0146 7.5528 115.1574 55.9369 28.9473 176.4458 17 E 3.9307 8.7699 123.7514 55.1148 29.5319 170.6049 18 P 4.6548 0.0000 0.0000 64.0062 33.1292 176.4181 19 E 4.1934 7.8329 121.6742 56.3876 30.1874 178.1430 20 V 3.6235 7.5912 117.7622 65.8465 31.9853 176.1914 21 Y 4.3387 7.8833 116.4028 57.9764 38.8577 175.9841 22 G 3.9174 8.0763 104.7613 44.4565 0.0000 172.4443 23 R 4.3786 8.3476 112.3914 56.8194 30.7607 176.2262 24 T 4.2786 7.8055 113.6268 61.9335 68.1492 174.3847 25 T 4.6996 8.1027 120.3330 59.5400 72.0736 175.9102 26 L 3.9523 8.1539 121.4711 58.2282 42.1376 178.2422 27 E 3.8151 8.1112 118.0613 59.6991 29.4540 179.2232 28 E 3.8675 8.0105 118.1986 59.0021 29.4154 179.2238 29 L 3.7282 7.7894 120.8960 57.8436 42.1421 178.8591 30 E 2.6664 7.4595 117.3639 58.9271 29.2606 178.9966 31 A 3.9008 7.5346 121.6712 54.4406 18.2271 179.6556 32 L 3.1276 7.4138 117.5404 57.8147 41.5140 179.3837 33 C 4.3004 7.5105 116.4905 62.8524 28.1205 175.5111 34 E 3.8617 8.3807 121.0040 59.5949 29.0180 178.9905 35 A 3.9765 7.5606 120.1232 54.9125 18.2031 179.6860 36 W 4.5068 8.3932 118.0387 59.8583 29.0125 179.0943 37 G 3.7575 8.6453 105.8570 47.5196 0.0000 175.8064 38 A 4.0012 8.0688 123.4363 54.8182 18.2806 179.1169 39 E 3.9724 8.0887 115.0182 59.8321 29.4121 178.5811 40 L 4.4550 7.3305 117.2187 54.2741 42.0954 177.0146 41 G 3.8665 8.0906 103.8895 45.4166 0.0000 173.3754 42 L 4.6530 8.0300 120.1207 52.5399 43.1382 176.9738 43 G 3.9745 8.6946 111.5326 46.3720 0.0000 172.4751 44 V 5.4186 8.2589 114.2537 59.4401 35.8342 174.9095 45 V 4.5919 8.6204 123.8133 59.8338 34.1823 174.2961 46 F 5.2721 8.7108 124.9133 56.6485 42.2750 173.9776 47 R 4.6354 8.1027 123.3341 54.7561 34.7295 173.7964 48 Q 5.2440 8.5648 122.1303 55.0457 32.3624 173.7055 49 T 4.9201 9.0571 118.6601 61.1832 71.2984 173.7243 50 N 4.7786 9.1027 121.3565 53.5045 39.5474 175.0548 51 Y 4.4715 8.0669 118.1988 55.6905 39.9706 175.4482 52 E 3.9533 8.9298 126.2038 59.6244 29.7510 179.0905 53 G 3.6318 8.0853 104.8769 47.8558 0.0000 175.2244 54 Q 3.5394 7.8407 121.3345 58.4678 29.0073 177.8840 55 L 3.8488 7.7826 121.4505 58.0499 42.1696 178.8773 56 I 3.6705 7.9868 120.1445 64.6286 37.1003 178.2658 57 E 4.0460 8.0562 119.1824 59.1479 28.7281 179.5464 58 W 4.5362 7.9431 119.0225 60.0660 28.9635 179.0563 59 V 3.7955 7.9585 111.2707 64.4476 31.0239 178.3730 60 Q 4.2083 8.4937 117.6686 58.1250 28.7885 177.5079 61 Q 4.4896 8.1006 117.8926 55.7811 29.2665 176.8442 62 A 4.2456 7.7616 121.4084 56.2165 18.4623 179.5880 63 H 4.2473 8.3189 113.2450 59.1423 28.4033 177.6817 64 Q 3.9570 7.6490 119.2537 58.3459 28.6710 177.6004 65 E 4.2848 7.8822 116.5429 56.4696 29.8425 177.5678 66 G 3.8331 7.8071 108.1236 44.9223 0.0000 174.1656 67 F 4.5045 7.2453 118.0239 57.6005 39.3631 174.7670 68 L 4.9034 8.8131 122.6675 54.9289 43.5121 175.4281 69 A 4.9210 7.8469 118.1878 51.8033 23.2276 174.8239 70 I 4.9372 8.7878 119.2404 59.5167 41.3700 174.9920 71 V 4.7375 8.8744 126.0305 61.0409 34.0290 174.1554 72 L 4.8988 8.6459 129.2834 53.5915 45.2079 174.7395 73 N 4.7958 8.8243 127.2019 50.7714 38.7701 173.5703 74 P 4.3584 0.0000 0.0000 62.4167 32.8168 178.2626 75 G 4.2186 8.3172 107.6193 46.1573 0.0000 175.1812 76 A 4.3265 8.5660 119.8954 54.6079 18.4449 179.2833 77 L 2.9940 8.0964 117.7922 57.9861 41.4265 179.4407 78 T 3.8099 7.7334 108.8875 64.2873 68.3721 175.2906 79 H 4.8943 8.3367 118.8317 55.7812 29.3269 175.0764 80 Y 4.6358 7.2632 114.4901 55.8177 41.0619 176.3418 81 S 4.1955 7.6785 116.5295 57.9715 60.6069 173.4740 82 Y 4.0998 8.1038 125.5116 60.1277 37.9178 177.3768 83 A 4.0121 8.0321 121.8128 55.0551 18.5721 179.2247 84 L 3.9059 7.9116 118.8939 57.8785 42.0684 179.0611 85 L 3.9379 7.5811 120.6455 58.3668 42.1278 178.7709 86 D 4.4194 8.5054 118.8333 57.1474 40.4388 178.6566 87 A 4.0314 7.8804 121.1033 55.0057 18.5441 179.4348 88 I 3.8513 7.8980 111.6776 64.3314 37.5749 178.7120 89 R 3.9400 7.8894 118.6822 58.5321 29.9415 177.9735 90 A 4.4073 7.7841 118.0869 51.6465 18.8463 176.6698 91 Q 4.6475 7.1717 115.3696 53.7323 31.7943 173.6129 92 P 4.5213 0.0000 0.0000 64.2358 32.3051 176.5248 93 L 4.3205 7.9906 118.6841 53.8374 42.3955 175.3924 94 P 4.4037 0.0000 0.0000 63.4853 32.5049 175.0308 95 V 4.8145 8.4150 121.6997 61.0993 34.9709 173.8127 96 V 4.6223 8.4575 127.7146 61.0130 33.7996 173.8991 97 E 4.7232 8.9537 129.9437 55.7236 30.4725 175.2915 98 V 4.8550 8.2138 126.0927 61.5628 35.4569 173.8359 99 H 4.9649 8.8135 121.9852 54.4523 33.1349 174.5778 100 L 4.4779 9.1107 122.5013 57.7956 42.5850 177.6215 101 T 4.4469 7.7949 106.7360 59.7737 70.8996 173.8918 102 N 4.3986 8.1841 120.8388 52.6156 38.3007 175.6245 103 L 3.8868 8.2493 126.8677 57.6750 41.7968 178.0611 104 H 4.5324 8.2250 113.5948 56.0559 28.7800 175.3646 105 A 4.7457 7.7277 121.0075 51.6350 19.8694 176.8723 106 R 4.6554 7.3133 117.5734 56.4573 31.6003 175.4066 107 E 4.0424 8.1558 120.9948 56.8051 30.6037 177.1287 108 E 3.8818 8.8853 122.5666 59.5819 29.5431 179.4373 109 F 4.2983 7.9320 113.7235 59.8425 37.7640 177.1916 110 R 3.4747 6.1299 116.2495 57.8987 29.8168 178.2050 111 R 4.1846 7.6479 116.9961 56.1443 30.1416 175.6244 112 H 4.8859 7.7642 115.5456 53.4437 30.3139 172.8882 113 S 4.9814 8.5288 118.6431 56.3778 63.5584 174.0350 114 V 3.7828 8.3915 122.4789 63.3992 31.8735 177.6840 115 T 4.1052 7.7144 109.6198 63.4493 69.7146 176.6130 116 A 4.0562 8.1397 125.3813 54.6473 18.4401 177.7001 117 P 4.2823 0.0000 0.0000 64.7780 31.4494 176.8004 118 A 4.5357 7.7971 119.0124 52.0259 19.6773 176.7128 119 C 4.5365 7.5006 113.3256 58.5504 29.4275 173.8019 120 R 3.9717 8.6012 123.3788 59.2553 30.0467 176.2544 121 G 4.0141 7.1909 102.5451 45.9374 0.0000 171.0280 122 I 5.2475 8.3329 119.3485 59.1053 41.1530 175.4054 123 V 4.7786 8.8208 128.9688 59.9576 33.9720 174.6847 124 S 5.5759 8.4116 117.6930 58.5768 65.4904 174.2090 125 G 3.7039 8.9524 108.5628 45.7217 0.0000 174.1021 126 F 4.7664 7.7210 117.9217 56.5107 39.9116 178.1199 127 G 3.8860 8.3845 110.6210 45.6628 0.0000 173.9706 128 P 4.4848 0.0000 0.0000 66.2311 31.2977 178.0317 129 L 3.8723 8.2167 116.5273 57.1278 41.3549 179.2044 130 S 4.2725 8.4189 115.9160 62.0608 62.7829 176.2716 131 Y 4.0488 8.5174 119.3490 60.7412 37.6006 178.3813 132 K 3.7170 7.6435 120.2075 59.3041 32.3638 178.5890 133 L 3.8330 7.8704 119.1846 57.7900 41.4953 179.4866 134 A 4.0421 7.7863 120.5180 55.2088 18.3028 179.6774 135 L 4.0635 8.1054 117.7860 57.9223 41.5314 180.1845 136 V 3.6293 7.9095 119.1839 64.6558 31.0904 178.0154 137 Y 3.9700 7.7463 119.2968 60.4633 38.8573 177.1925 138 L 4.0128 8.1420 119.7258 57.6637 41.5037 179.3472 139 A 3.9801 7.8772 119.5659 55.3119 18.4723 179.1361 140 E 3.8978 7.6387 116.1843 57.9512 29.9016 176.9444 141 T 4.2588 6.5256 116.7676 62.1119 70.7601 175.1352 *142 L 4.1415 8.2766 122.2978 54.6836 41.6354 177.8149 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 M 8.15 4.82 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.79 0.00 2 V 8.70 4.75 2.15 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 0.75 0.00 0.00 0.98 0.00 0.00 3 L 9.12 4.53 0.00 0.71 1.09 0.58 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.53 4.87 1.86 0.00 0.00 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 1.32 0.56 1.01 0.00 0.00 5 L 9.14 5.02 0.00 1.48 1.60 0.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.91 5.31 0.00 2.70 2.67 0.00 0.00 6.48 6.91 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 7 G 8.88 4.43 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 0.00 8 P 0.00 4.46 0.00 2.23 2.16 0.00 3.99 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 2.07 1.96 0.00 9 N 9.47 4.54 0.00 2.93 2.99 0.00 0.00 7.04 7.06 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 10 L 7.60 4.03 0.00 1.84 1.76 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.26 4.39 0.00 2.86 3.19 0.00 0.00 5.98 7.79 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 12 L 7.86 4.47 0.00 1.67 1.68 0.91 0.29 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 13 L 7.36 3.78 0.00 1.82 1.63 0.80 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 G 9.08 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 15 R 7.92 4.01 0.00 1.82 2.00 0.00 3.37 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 R 7.55 4.01 0.00 1.90 1.95 0.00 2.99 0.00 0.00 2.78 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.32 0.00 17 E 8.77 3.93 0.00 2.34 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 2.19 2.45 0.00 18 P 0.00 4.65 0.00 2.26 2.18 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 19 E 7.83 4.19 0.00 1.95 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 2.28 2.23 0.00 20 V 7.59 3.62 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 0.29 0.00 0.00 0.88 0.00 0.00 21 Y 7.88 4.34 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.08 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 23 R 8.35 4.38 0.00 2.01 2.21 0.00 2.99 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 24 T 7.81 4.28 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 1.25 0.00 0.00 25 T 8.10 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 1.19 0.00 0.00 26 L 8.15 3.95 0.00 1.95 1.73 1.17 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.11 3.82 0.00 1.98 1.90 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 2.35 2.38 0.00 28 E 8.01 3.87 0.00 2.17 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 2.25 2.24 0.00 29 L 7.79 3.73 0.00 1.82 1.63 0.64 0.37 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 30 E 7.46 2.67 0.00 1.57 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 1.94 2.07 0.00 31 A 7.53 3.90 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 32 L 7.41 3.13 0.00 1.47 0.46 0.54 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.51 4.30 0.00 3.11 3.18 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 34 E 8.38 3.86 0.00 1.90 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 2.25 2.30 0.00 35 A 7.56 3.98 1.15 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 0.00 0.00 36 W 8.39 4.51 0.00 3.51 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 37 G 8.65 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 38 A 8.07 4.00 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 39 E 8.09 3.97 0.00 2.17 2.18 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 2.74 2.44 0.00 40 L 7.33 4.46 0.00 1.74 1.99 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.09 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.03 4.65 0.00 1.67 1.67 0.94 1.22 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 43 G 8.69 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 0.00 0.00 0.00 44 V 8.26 5.42 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 0.86 0.00 0.00 1.01 0.00 0.00 45 V 8.62 4.59 2.23 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 1.04 0.00 0.00 0.90 0.00 0.00 46 F 8.71 5.27 0.00 2.93 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 47 R 8.10 4.64 0.00 0.94 0.66 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.07 0.00 48 Q 8.56 5.24 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.34 0.00 49 T 9.06 4.92 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 1.13 0.00 0.00 50 N 9.10 4.78 0.00 2.63 2.63 0.00 0.00 6.82 7.46 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 51 Y 8.07 4.47 0.00 2.79 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 52 E 8.93 3.95 0.00 1.98 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 2.33 2.31 0.00 53 G 8.09 3.63 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 0.00 0.00 0.00 54 Q 7.84 3.54 0.00 1.77 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.86 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 55 L 7.78 3.85 0.00 1.95 1.65 0.90 1.08 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 56 I 7.99 3.67 1.97 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 1.49 0.49 0.89 0.00 0.00 57 E 8.06 4.05 0.00 1.94 1.94 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 2.29 2.48 0.00 58 W 7.94 4.54 0.00 3.55 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 59 V 7.96 3.80 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 0.82 0.00 0.00 0.96 0.00 0.00 60 Q 8.49 4.21 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 61 Q 8.10 4.49 0.00 2.50 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 62 A 7.76 4.25 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 63 H 8.32 4.25 0.00 3.47 3.65 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.65 3.96 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.11 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 65 E 7.88 4.28 0.00 2.36 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 2.37 2.37 0.00 66 G 7.81 3.83 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 0.00 0.00 0.00 67 F 7.25 4.50 0.00 3.18 3.11 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 0.00 0.00 0.00 0.00 68 L 8.81 4.90 0.00 1.64 1.67 0.94 1.22 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 69 A 7.85 4.92 1.26 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 70 I 8.79 4.94 1.86 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 1.02 1.01 0.91 0.00 0.00 71 V 8.87 4.74 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 0.82 0.00 0.00 0.97 0.00 0.00 72 L 8.65 4.90 0.00 1.72 1.40 0.96 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.82 4.80 0.00 2.72 2.76 0.00 0.00 7.07 7.67 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 74 P 0.00 4.36 0.00 2.22 1.98 0.00 3.70 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 2.04 2.01 0.00 75 G 8.32 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 0.00 0.00 0.00 0.00 76 A 8.57 4.33 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 2.99 0.00 1.69 1.43 0.81 0.25 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 78 T 7.73 3.81 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 1.29 0.00 0.00 79 H 8.34 4.89 0.00 3.46 3.67 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.26 4.64 0.00 2.92 2.87 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 0.00 0.00 0.00 0.00 81 S 7.68 4.20 0.00 3.42 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.10 4.10 0.00 3.15 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 83 A 8.03 4.01 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 84 L 7.91 3.91 0.00 1.65 1.69 0.84 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.58 3.94 0.00 1.72 1.96 1.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.51 4.42 0.00 2.75 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 87 A 7.88 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.85 1.88 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 1.52 1.09 0.97 0.00 0.00 89 R 7.89 3.94 0.00 1.84 2.06 0.00 3.34 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 90 A 7.78 4.41 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 91 Q 7.17 4.65 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 92 P 0.00 4.52 0.00 2.18 2.17 0.00 3.76 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 93 L 7.99 4.32 0.00 1.71 1.70 1.07 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.40 0.00 2.20 2.27 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.03 0.00 95 V 8.42 4.81 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 1.02 0.00 0.00 1.00 0.00 0.00 96 V 8.46 4.62 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 0.83 0.00 0.00 0.97 0.00 0.00 97 E 8.95 4.72 0.00 2.03 1.75 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 2.17 2.13 0.00 98 V 8.21 4.86 1.75 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 -0.10 0.00 0.00 0.76 0.00 0.00 99 H 8.81 4.96 0.00 3.07 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.11 4.48 0.00 1.87 1.92 1.14 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.79 4.45 4.07 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 0.00 0.00 0.00 0.93 0.00 0.00 102 N 8.18 4.40 0.00 2.59 2.64 0.00 0.00 6.88 6.66 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 0.00 103 L 8.25 3.89 0.00 1.33 1.72 0.69 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.22 4.53 0.00 3.19 3.29 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.73 4.75 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 0.00 106 R 7.31 4.66 0.00 1.55 1.57 0.00 3.00 0.00 0.00 3.05 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.58 0.00 107 E 8.16 4.04 0.00 1.22 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 2.43 2.28 0.00 108 E 8.89 3.88 0.00 1.97 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 0.00 2.39 2.31 0.00 109 F 7.93 4.30 0.00 3.27 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 0.00 110 R 6.13 3.47 0.00 1.55 1.80 0.00 2.91 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 111 R 7.65 4.18 0.00 1.93 2.02 0.00 3.07 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 112 H 7.76 4.89 0.00 3.32 3.38 0.00 5.21 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.53 4.98 0.00 3.79 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 0.00 114 V 8.39 3.78 1.60 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 0.26 0.00 0.00 0.58 0.00 0.00 115 T 7.71 4.11 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 1.11 0.00 0.00 116 A 8.14 4.06 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 0.00 117 P 0.00 4.28 0.00 2.08 2.15 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 118 A 7.80 4.54 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 0.00 119 C 7.50 4.54 0.00 3.10 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 0.00 120 R 8.60 3.97 0.00 1.98 1.83 0.00 3.56 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 121 G 7.19 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 0.00 122 I 8.33 5.25 1.86 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 1.43 1.15 0.91 0.00 0.00 123 V 8.82 4.78 2.21 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 0.71 0.00 0.00 1.17 0.00 0.00 124 S 8.41 5.58 0.00 4.03 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 0.00 125 G 8.95 3.70 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 0.00 0.00 0.00 126 F 7.72 4.77 0.00 3.17 3.08 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 0.00 127 G 8.38 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 0.00 128 P 0.00 4.48 0.00 2.45 2.35 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 129 L 8.22 3.87 0.00 2.01 1.61 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.42 4.27 0.00 4.16 3.99 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 0.00 131 Y 8.52 4.05 0.00 3.52 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 0.00 132 K 7.64 3.72 0.00 0.79 1.03 0.00 1.11 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.89 0.21 7.81 133 L 7.87 3.83 0.00 1.73 1.58 0.33 0.75 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 0.00 134 A 7.79 4.04 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 0.00 135 L 8.11 4.06 0.00 1.92 1.82 1.21 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.91 3.63 2.03 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 0.83 0.00 0.00 0.90 0.00 0.00 137 Y 7.75 3.97 0.00 3.01 3.03 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 0.00 138 L 8.14 4.01 0.00 2.12 1.73 1.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.88 3.98 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 0.00 140 E 7.64 3.90 0.00 1.84 1.90 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 2.23 2.28 0.00 141 T 6.53 4.26 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 1.10 0.00 0.00 *142 L 8.28 4.14 0.00 1.41 1.48 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.