NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 H 4.7115 8.3033 117.8279 54.4383 30.7145 173.1529 7 N 4.1551 8.0931 115.4579 53.6621 35.9964 172.4022 8 A 4.6139 7.1484 120.2819 51.1087 21.7828 176.9784 9 S 4.4999 7.7227 111.4574 57.9726 64.8405 176.2942 10 T 4.3603 8.4037 115.4355 60.9556 70.0620 173.2149 11 A 4.9189 8.1603 121.5442 50.1957 22.3678 175.3383 12 R 4.4834 8.5191 120.5947 54.4220 32.8111 174.6933 13 F 5.3342 8.6030 123.5885 55.9135 42.1821 174.2760 14 Y 4.9426 9.3239 118.6815 56.1800 41.7794 174.2961 15 A 5.3663 8.7661 124.2715 50.1679 21.6456 175.3422 16 L 4.6236 8.6617 120.8333 54.4301 44.6419 174.6056 17 R 4.9297 8.2653 119.4326 54.6601 32.2570 174.6846 18 L 4.5692 9.0955 126.7064 54.2318 43.7261 176.0460 19 L 4.6905 9.2558 121.4914 52.2020 44.5905 174.4930 20 P 4.5854 0.0000 0.0000 64.6869 31.6029 177.0402 21 G 4.0519 9.0940 111.8202 45.5260 0.0000 174.0933 22 Q 4.1552 7.8293 118.9918 55.5874 29.7031 174.5433 23 E 4.8500 8.4772 121.4840 54.8398 31.4433 176.9789 24 V 3.5967 8.6179 126.8036 66.3087 31.6900 178.1361 25 F 3.8396 8.6364 117.0998 60.5747 38.8017 177.6428 26 S 4.2337 9.3669 114.3651 61.7258 62.7571 176.6150 27 Q 4.0220 8.0373 121.2511 58.5326 28.3530 178.6379 28 L 3.9770 8.1546 120.3500 58.0869 41.5433 179.2866 29 H 4.2374 8.2978 116.0283 58.8119 28.5443 177.7176 30 A 4.0143 8.2735 122.7022 55.0590 18.1745 179.5297 31 F 3.9088 8.4008 119.2394 61.2995 39.5079 177.5352 32 V 3.4700 8.1308 118.1840 66.0481 31.4264 178.0871 33 Q 3.9032 8.3650 118.0633 59.0053 28.3813 178.3188 34 Q 3.8908 7.9558 119.4678 58.7737 29.1189 177.3340 35 N 4.4891 7.4398 113.7191 51.6171 39.7610 174.7501 36 Q 3.2890 7.5072 118.5020 56.7444 27.0865 174.5565 37 L 4.2690 7.8124 117.5607 55.0052 42.7295 178.4564 38 R 4.5018 9.2114 120.9577 56.2216 32.6500 175.8721 39 A 3.9794 8.3346 119.7036 50.4056 20.6144 174.8170 40 A 5.5428 8.8761 124.4495 49.7451 23.2328 175.6617 41 W 5.5895 8.7910 114.7438 55.3735 32.1839 174.3115 42 I 4.2428 8.6254 122.7398 61.0073 36.1152 175.9235 43 A 4.4195 8.4218 130.2381 53.7062 19.3888 177.4437 44 G 4.0825 7.7047 99.3729 45.9997 0.0000 172.2895 45 C 5.2710 8.5842 120.8636 58.6821 34.6254 172.7743 46 T 4.5769 8.4456 119.0581 60.3945 71.0536 174.1350 47 G 3.9145 7.6635 112.1756 46.1861 0.0000 170.9417 48 S 5.1677 8.1753 113.9895 56.9790 67.0727 173.2928 49 L 5.2697 9.2040 120.1004 54.1132 45.9605 176.3918 50 T 4.7484 9.0008 115.4638 64.5338 70.6004 174.0006 51 D 5.2941 8.2609 121.3007 53.0597 43.2242 175.3969 52 V 4.6048 9.0483 122.0498 60.8959 34.9106 173.9508 53 A 5.0467 8.5957 128.7169 50.2502 20.8532 174.9913 54 L 4.8393 8.6068 121.3591 53.3646 46.4670 176.1974 55 R 4.4163 8.7146 122.4398 54.5504 32.1262 175.2403 56 Y 4.7498 8.1173 124.0455 57.1922 38.7460 175.3374 57 A 4.0061 8.6748 124.0828 54.2191 18.4489 178.6243 58 G 3.9603 8.8464 110.2031 45.8762 0.0000 173.6045 59 Q 4.3727 7.9922 118.6592 55.2214 29.8042 175.3477 60 E 4.2056 8.6487 120.5503 57.5328 30.6454 176.5095 61 A 4.4016 7.6442 119.7806 51.5928 19.8918 176.1951 62 T 4.4477 8.0593 116.5999 62.8392 70.3040 174.4279 63 T 4.4117 8.8766 122.8278 62.0968 70.5584 173.6550 64 S 5.1754 8.5738 122.3717 56.7968 64.9551 173.5561 65 L 5.0427 9.1700 123.9924 53.3004 45.7460 175.6915 66 T 5.1121 8.8085 117.0149 61.2147 72.0060 174.7752 67 G 3.8311 8.1933 113.9200 46.7543 0.0000 173.1940 68 T 4.5824 7.7882 122.6991 61.8414 70.4603 173.5902 69 F 5.2663 8.9841 125.0528 55.5862 43.3369 174.1786 70 E 5.0439 9.0725 121.1187 54.6402 32.2326 175.4266 71 V 4.1750 8.6006 124.8615 62.7209 31.4344 175.7064 72 I 4.2725 8.7505 130.3480 63.7834 38.0321 176.8169 73 S 4.6893 7.6870 114.2959 57.0364 66.3015 173.5555 74 L 5.0878 8.5090 123.6864 53.8824 44.3723 174.7888 75 N 5.1486 10.1543 123.6574 51.4590 43.1025 174.5382 76 G 4.8010 8.3290 106.2664 44.7929 0.0000 171.9833 77 T 5.4472 7.8958 109.9314 60.2333 72.0999 173.1690 78 L 5.0989 9.0564 121.2278 55.4239 43.9861 173.6779 79 E 4.7341 9.4381 117.9908 55.6215 33.0056 175.7133 80 L 3.9855 8.1448 119.8329 57.9127 41.5480 179.5452 81 T 4.5571 7.5270 106.0442 60.5270 69.2255 173.3799 82 G 3.9341 7.7676 109.6494 46.6554 0.0000 172.0474 83 E 5.0897 8.4194 115.6962 56.5457 32.2271 175.8853 84 H 4.8303 9.0459 120.8668 55.5853 31.9356 171.5215 85 L 5.3773 8.5953 124.2627 52.9770 44.9062 175.5765 86 H 5.2776 9.5110 119.4460 53.9921 32.3607 172.7233 87 L 5.3482 8.9050 122.7575 53.2462 45.8610 174.8905 88 A 5.2149 8.9952 125.9286 50.3361 21.9692 175.4815 89 V 5.1087 8.8975 115.5395 59.4508 35.7958 175.2930 90 S 5.1997 8.9639 116.8669 56.8576 66.4153 173.5610 91 D 5.2883 8.8359 122.5117 51.3520 42.0037 175.1343 92 P 4.0837 0.0000 0.0000 64.5740 31.0671 176.6611 93 Y 4.6464 8.3224 115.4196 57.4200 38.5244 176.8825 94 G 3.9429 8.3973 109.5534 45.3147 0.0000 174.2511 95 V 3.8556 7.4957 119.4485 62.6648 33.4444 174.2045 *97 L 4.3830 8.3338 120.1756 54.8747 43.0086 176.5781 98 G 4.4051 8.0637 107.5880 45.2988 0.0000 172.7228 99 G 4.1770 7.9400 106.8552 46.0454 0.0000 172.5933 100 H 4.5332 7.7946 124.4390 55.3793 29.6067 173.2663 *103 P 3.7960 0.0000 0.0000 62.9065 32.1628 175.6830 104 G 3.6820 8.7761 109.1247 45.4002 0.0000 173.7655 105 C 4.7088 8.1094 119.9076 59.4313 29.5647 172.4949 106 T 5.0544 8.5743 114.2627 59.4792 71.2912 173.9235 107 V 3.7615 8.7756 125.7280 63.5593 32.2122 175.5654 108 R 4.2987 9.0015 129.7231 57.5107 29.0787 176.7729 109 T 4.4632 8.0586 110.1759 63.1220 71.1561 173.6017 110 T 4.3560 7.3951 113.5313 61.4984 71.2029 172.0141 111 L 4.8672 7.9859 125.6571 53.9600 45.3763 174.2345 112 E 5.0524 9.5888 127.3222 54.9544 31.6302 175.4749 113 L 5.2587 8.8619 123.2828 52.9073 46.7653 175.6229 114 V 4.7303 8.7138 122.0120 61.3231 34.2224 174.0973 115 I 4.6987 9.0166 129.6370 59.4429 39.8273 175.0714 116 G 3.2063 7.8636 113.7043 44.1161 0.0000 172.0093 117 E 5.0914 8.6340 123.1916 54.1898 33.3739 174.7725 118 L 4.9764 8.7773 127.4354 52.3130 41.6704 175.0802 119 P 4.1238 0.0000 0.0000 65.2748 31.6539 177.6603 120 A 4.2418 8.0019 119.0198 52.8699 18.8533 176.1099 121 L 5.4157 7.6212 114.5716 52.9844 45.6418 176.1832 122 T 4.6668 8.7407 115.7334 62.2470 72.5780 173.3885 123 F 5.5504 9.3159 125.9184 56.4875 40.8570 175.3272 124 S 4.7830 9.0445 116.0523 57.2815 67.1962 172.9385 125 R 5.1114 8.6207 119.2705 54.8562 31.5934 175.5555 126 Q 4.8727 8.8932 123.7692 52.7481 32.3363 173.6801 127 P 4.7307 0.0000 0.0000 63.6391 32.0016 174.8285 128 C 4.6953 8.9690 124.5411 57.4403 32.6357 174.4191 129 A 4.0101 8.8153 129.6492 54.7164 18.5082 178.5775 130 I 3.9554 7.7488 116.4658 64.2703 37.5598 177.5777 131 S 4.1989 7.9887 113.0691 59.1532 63.4013 175.2473 132 G 3.6359 8.6487 108.0369 44.9353 0.0000 171.6636 133 Y 4.9665 7.4965 115.9516 55.6482 42.6320 174.2188 134 D 4.9961 8.8141 120.4895 54.3511 41.5018 176.1823 135 E 4.7803 9.1609 123.0929 53.6595 33.6080 175.1660 136 L 4.3119 8.4618 123.1693 55.9348 42.7680 175.4454 137 H 4.9773 9.5603 126.4078 54.3822 32.7577 172.0269 138 I 5.1901 8.3278 126.3378 59.6563 39.1303 174.9269 139 S 4.7794 8.7707 120.7533 56.0624 67.0643 173.2523 140 S 4.5059 8.5665 115.2100 58.5346 62.3734 173.9323 141 R 4.0719 9.1831 128.1567 58.7521 30.3411 176.4042 142 L 3.9851 7.8948 121.7533 56.1488 42.0673 173.9670 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 6 H 8.30 4.71 0.00 3.22 3.38 0.00 5.74 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.09 4.16 0.00 2.95 2.91 0.00 0.00 6.89 6.46 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 8 A 7.15 4.61 1.27 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 0.00 0.00 0.00 9 S 7.72 4.50 0.00 3.77 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 10 T 8.40 4.36 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 11 A 8.16 4.92 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 12 R 8.52 4.48 0.00 1.76 1.63 0.00 2.86 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.35 0.00 13 F 8.60 5.33 0.00 2.87 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 14 Y 9.32 4.94 0.00 3.00 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 15 A 8.77 5.37 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 16 L 8.66 4.62 0.00 1.52 1.47 0.27 -0.16 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 17 R 8.27 4.93 0.00 1.76 1.78 0.00 3.22 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 18 L 9.10 4.57 0.00 1.57 1.54 0.89 0.39 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 19 L 9.26 4.69 0.00 1.54 1.56 0.93 1.07 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 20 P 0.00 4.59 0.00 2.04 2.17 0.00 3.69 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 2.03 2.19 0.00 21 G 9.09 4.05 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 0.00 0.00 0.00 22 Q 7.83 4.16 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 23 E 8.48 4.85 0.00 2.01 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 2.48 2.30 0.00 24 V 8.62 3.60 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 1.07 0.00 0.00 0.99 0.00 0.00 25 F 8.64 3.84 0.00 3.39 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 26 S 9.37 4.23 0.00 4.06 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 0.00 27 Q 8.04 4.02 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 28 L 8.15 3.98 0.00 1.55 1.55 0.71 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.30 4.24 0.00 3.35 3.32 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.27 4.01 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 31 F 8.40 3.91 0.00 3.20 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 32 V 8.13 3.47 2.24 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 1.05 0.00 0.00 0.98 0.00 0.00 33 Q 8.37 3.90 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 34 Q 7.96 3.89 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 35 N 7.44 4.49 0.00 2.07 2.45 0.00 0.00 7.25 7.80 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 36 Q 7.51 3.29 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 37 L 7.81 4.27 0.00 1.65 1.66 0.75 0.45 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 38 R 9.21 4.50 0.00 1.60 1.87 0.00 3.28 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 39 A 8.33 3.98 0.34 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 40 A 8.88 5.54 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 41 W 8.79 5.59 0.00 3.60 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.63 4.24 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.93 0.00 0.00 43 A 8.42 4.42 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 44 G 7.70 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 45 C 8.58 5.27 0.00 2.93 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 46 T 8.45 4.58 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 47 G 7.66 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 48 S 8.18 5.17 0.00 3.93 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 49 L 9.20 5.27 0.00 1.64 1.66 0.90 0.70 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 50 T 9.00 4.75 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 1.30 0.00 0.00 51 D 8.26 5.29 0.00 2.69 2.57 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 0.00 0.00 0.00 0.00 52 V 9.05 4.60 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.37 0.00 0.00 53 A 8.60 5.05 1.06 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 0.00 0.00 0.00 0.00 0.00 54 L 8.61 4.84 0.00 1.21 1.33 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.71 4.42 0.00 1.74 1.77 0.00 3.13 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 56 Y 8.12 4.75 0.00 3.06 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 57 A 8.67 4.01 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 58 G 8.85 3.96 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 0.00 59 Q 7.99 4.37 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 60 E 8.65 4.21 0.00 1.91 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 2.23 2.34 0.00 61 A 7.64 4.40 1.21 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 0.00 0.00 62 T 8.06 4.45 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 1.08 0.00 0.00 63 T 8.88 4.41 3.73 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 1.15 0.00 0.00 64 S 8.57 5.18 0.00 3.69 3.73 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 65 L 9.17 5.04 0.00 1.39 1.67 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.81 5.11 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 1.30 0.00 0.00 67 G 8.19 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 68 T 7.79 4.58 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 1.10 0.00 0.00 69 F 8.98 5.27 0.00 3.08 2.85 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 0.00 0.00 0.00 0.00 70 E 9.07 5.04 0.00 1.91 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 0.00 2.23 2.37 0.00 71 V 8.60 4.18 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 0.75 0.00 0.00 0.95 0.00 0.00 72 I 8.75 4.27 2.00 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 1.32 0.98 0.93 0.00 0.00 73 S 7.69 4.69 0.00 3.88 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 74 L 8.51 5.09 0.00 1.61 1.56 0.98 0.90 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 N 10.15 5.15 0.00 2.68 2.68 0.00 0.00 6.58 7.13 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 76 G 8.33 4.80 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 0.00 0.00 0.00 77 T 7.90 5.45 4.35 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 1.16 0.00 0.00 78 L 9.06 5.10 0.00 1.71 1.76 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.44 4.73 0.00 2.12 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 2.28 2.77 0.00 80 L 8.14 3.99 0.00 1.62 1.81 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.53 4.56 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 1.22 0.00 0.00 82 G 7.77 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 83 E 8.42 5.09 0.00 2.00 1.88 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 2.09 1.81 0.00 84 H 9.05 4.83 0.00 3.20 3.16 0.00 5.54 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.60 5.38 0.00 1.60 1.56 0.59 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 86 H 9.51 5.28 0.00 3.01 3.18 0.00 5.57 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 87 L 8.91 5.35 0.00 1.76 1.46 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 88 A 9.00 5.21 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 89 V 8.90 5.11 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 0.66 0.00 0.00 0.75 0.00 0.00 90 S 8.96 5.20 0.00 3.91 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 91 D 8.84 5.29 0.00 2.62 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 92 P 0.00 4.08 0.00 0.94 1.65 0.00 3.30 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 93 Y 8.32 4.65 0.00 3.04 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 94 G 8.40 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 V 7.50 3.86 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 1.11 0.00 0.00 1.02 0.00 0.00 *97 L 8.33 4.38 0.00 1.70 1.69 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.06 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 4.18 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 0.00 100 H 7.79 4.53 0.00 3.14 3.19 0.00 5.81 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *103 P 0.00 3.80 0.00 1.91 1.86 0.00 3.36 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.48 0.00 104 G 8.78 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.11 4.71 0.00 2.92 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 0.00 106 T 8.57 5.05 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 1.27 0.00 0.00 107 V 8.78 3.76 2.28 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 0.99 0.00 0.00 0.96 0.00 0.00 108 R 9.00 4.30 0.00 1.97 1.86 0.00 3.26 0.00 0.00 3.29 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 109 T 8.06 4.46 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 1.21 0.00 0.00 110 T 7.40 4.36 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 1.20 0.00 0.00 111 L 7.99 4.87 0.00 1.79 1.43 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 112 E 9.59 5.05 0.00 1.99 1.81 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 2.23 2.25 0.00 113 L 8.86 5.26 0.00 1.36 1.35 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.71 4.73 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 0.92 0.00 0.00 0.87 0.00 0.00 115 I 9.02 4.70 1.86 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.49 0.85 0.00 0.00 116 G 7.86 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 0.00 0.00 0.00 117 E 8.63 5.09 0.00 2.11 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 2.23 2.28 0.00 118 L 8.78 4.98 0.00 1.45 1.55 0.89 1.07 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 0.00 119 P 0.00 4.12 0.00 2.01 2.11 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 120 A 8.00 4.24 1.29 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 0.00 0.00 0.00 121 L 7.62 5.42 0.00 1.34 1.53 1.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.74 4.67 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 1.24 0.00 0.00 123 F 9.32 5.55 0.00 2.97 2.85 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 0.00 0.00 0.00 0.00 124 S 9.04 4.78 0.00 3.93 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 0.00 125 R 8.62 5.11 0.00 1.72 1.93 0.00 3.33 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 1.57 1.60 0.00 126 Q 8.89 4.87 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 127 P 0.00 4.73 0.00 2.06 2.08 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 128 C 8.97 4.70 0.00 3.02 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 0.00 129 A 8.82 4.01 1.27 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 0.00 0.00 0.00 130 I 7.75 3.96 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 1.46 0.58 0.91 0.00 0.00 131 S 7.99 4.20 0.00 4.15 4.06 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 0.00 0.00 0.00 132 G 8.65 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 0.00 133 Y 7.50 4.97 0.00 3.11 2.77 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 0.00 134 D 8.81 5.00 0.00 2.61 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.16 4.78 0.00 1.84 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 2.49 2.41 0.00 136 L 8.46 4.31 0.00 1.51 1.48 0.30 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 137 H 9.56 4.98 0.00 3.22 3.27 0.00 5.79 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.33 5.19 1.88 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 1.46 0.70 1.13 0.00 0.00 139 S 8.77 4.78 0.00 3.87 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 0.00 140 S 8.57 4.51 0.00 3.90 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 0.00 141 R 9.18 4.07 0.00 1.76 1.92 0.00 3.31 0.00 0.00 3.10 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.45 0.00 142 L 7.89 3.99 0.00 1.84 1.67 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.