NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1166 8.1127 120.8591 56.7956 29.9304 175.6582 3 V 3.1712 8.2325 122.0316 61.4237 30.8704 171.0670 4 K 4.3288 8.7823 119.0516 57.6132 33.5374 176.5292 5 M 4.3574 7.6902 119.1466 56.6923 32.7311 175.9121 6 H 4.9034 8.3081 115.3015 55.6841 31.6573 174.3596 7 V 4.2719 7.9616 119.2434 60.7180 30.4299 179.1058 8 K 4.2181 8.5371 132.6400 57.6591 32.4495 174.5031 9 K 4.2367 8.1139 117.3927 56.4927 34.0597 176.9993 10 G 3.8314 8.7482 106.7167 46.3382 0.0000 172.9222 11 D 4.3866 7.5547 129.0835 53.7464 42.8951 175.7644 12 T 4.6314 8.4795 117.3033 63.5317 69.0739 174.6890 13 V 4.8571 8.8305 125.5842 61.0655 35.8947 173.5582 14 L 5.5077 9.2463 125.6536 52.4735 46.0290 175.3054 15 V 4.5542 8.2260 121.6173 61.6548 34.3553 175.1894 16 A 5.5240 7.9203 133.2552 53.0091 21.7939 176.6126 17 S 5.0327 7.8178 123.8326 59.2149 62.3948 175.3811 18 G 3.8758 8.8966 106.4333 45.6810 0.0000 173.0682 19 K 3.8210 8.9611 124.7413 58.1861 33.1299 176.2565 20 Y 4.4909 7.7904 112.9250 57.9820 39.9613 173.3649 21 K 3.8237 8.3806 122.9473 58.0145 31.7500 173.5599 22 G 3.9461 8.7321 119.9442 45.1403 0.0000 171.6959 23 R 4.7884 7.7688 127.3765 56.0890 33.5816 173.4072 24 V 4.2458 8.3100 122.4449 62.1945 32.7863 175.4131 25 G 4.1996 9.1383 114.2153 44.3151 0.0000 173.7862 26 K 4.6623 8.3818 123.3151 55.4422 33.5508 176.4161 27 V 4.0738 8.5525 116.4850 63.1034 31.7024 176.6725 28 K 4.4103 8.4456 123.3407 56.0224 32.7348 176.9136 29 E 3.5758 8.1659 112.3737 57.0799 25.9751 174.2210 30 V 3.5725 7.9227 121.5663 62.6270 32.0910 174.7343 31 L 3.9448 8.2724 127.8818 55.1878 41.9812 175.1982 32 P 4.7137 0.0000 0.0000 62.2600 32.8541 177.0412 33 K 3.6841 7.6397 118.2530 60.8083 32.3884 177.2658 34 K 4.0242 7.7289 120.5709 57.8167 32.7803 176.1172 35 Y 3.6326 8.2238 118.7905 58.7944 36.8867 167.1900 36 A 4.9128 7.5404 120.4610 50.3066 24.3278 177.0526 37 V 3.9958 11.1300 113.1662 61.0108 30.9379 177.4552 38 I 4.5386 9.9927 135.0000 62.9735 36.9214 176.7860 39 V 3.2637 7.4106 119.1806 63.6899 30.7599 172.6627 40 E 4.7999 8.9244 109.9018 56.5632 33.6477 175.6390 41 G 2.9307 7.8944 111.1227 46.6523 0.0000 176.4320 42 V 3.2177 7.4352 117.8519 62.6559 32.7188 175.2445 43 N 5.4741 8.6213 120.6812 53.2250 40.8725 173.4142 44 I 3.6294 6.7707 119.1854 58.5306 39.2620 174.5887 45 V 4.4770 8.2238 122.1442 60.9542 33.7063 175.0758 46 K 4.8634 8.4933 126.3213 55.2290 35.5393 175.0216 47 K 3.5459 8.0017 111.7324 54.7485 32.0866 176.6965 48 A 3.9272 7.4387 122.3737 52.8915 19.2030 178.7713 49 V 4.1139 8.1923 119.9873 61.7111 33.9852 176.8268 50 R 4.2785 8.0074 112.9509 56.1695 28.8301 176.1735 51 V 3.7509 8.1202 119.7659 65.7892 32.0884 177.1098 52 S 4.5516 7.4076 112.2582 55.9776 62.7326 171.6893 53 P 4.1669 0.0000 0.0000 63.1375 30.1402 176.3582 54 K 3.8532 7.8465 123.9420 56.6370 32.9103 174.3322 55 Y 3.3802 8.4368 122.7463 58.7825 39.1727 169.3162 56 P 4.2149 0.0000 0.0000 61.2990 33.8922 175.1138 57 Q 4.2843 8.6301 127.9966 56.6797 28.9141 174.5956 58 G 3.8364 7.8067 107.8429 45.8341 0.0000 173.6853 59 G 4.3039 7.6052 107.7867 43.8457 0.0000 172.5496 60 F 5.4611 8.5394 119.9748 57.5419 42.1640 176.7282 61 I 3.8268 8.0231 119.9953 62.0962 37.4861 176.6518 62 E 3.9079 7.9306 117.7790 55.5206 29.0709 172.1972 63 K 4.9403 7.7940 116.2898 54.9966 36.0042 175.4821 64 E 4.6299 8.9160 118.4495 56.2113 29.7868 176.9236 65 A 4.3385 8.5949 121.5868 51.5222 20.4000 177.8336 66 P 3.4884 0.0000 0.0000 64.8479 32.5371 172.8446 67 L 3.4811 7.7590 123.5794 54.6063 42.9728 173.5729 68 H 4.0518 8.8173 124.4297 56.8283 30.5345 174.4065 69 A 4.6465 7.4990 125.7188 51.8971 18.6734 177.6693 70 S 4.5140 7.7284 114.0803 58.8548 64.8833 174.2684 71 K 4.3346 8.0623 116.7309 56.5726 32.1760 176.4802 72 V 4.6748 7.3385 112.3842 60.2699 33.4290 175.5479 73 R 4.6734 9.0223 122.0832 54.7242 34.3174 174.0518 74 P 4.4025 0.0000 0.0000 63.4212 31.3950 178.2728 75 I 4.2353 9.5769 109.7661 61.1112 39.3512 171.2973 76 C 4.7056 7.8139 122.2684 59.2906 35.2226 172.7623 77 P 4.6573 0.0000 0.0000 60.6818 29.6729 175.6175 78 A 4.7782 6.7173 129.9831 52.0236 18.8876 179.2784 79 C 4.7023 8.1431 125.6056 59.6410 33.3644 172.9626 80 G 3.5536 8.2606 107.9487 46.8255 0.0000 169.7830 81 K 3.9181 7.8885 128.2840 53.8537 33.8173 173.9374 82 P 4.4775 0.0000 0.0000 63.6563 32.6543 174.8745 83 T 4.9557 8.1446 116.6094 62.7955 71.7295 173.7834 84 R 4.6092 7.7651 117.3553 56.5634 34.7392 174.0805 85 V 4.7265 8.1772 117.5072 61.9499 34.8133 176.7097 86 R 4.6440 7.7870 124.1901 56.1954 31.4324 174.7424 87 K 5.3642 9.3497 115.6735 57.7878 38.4774 177.0259 88 K 3.8704 8.9009 115.1212 55.8944 29.8549 175.2926 89 F 3.7329 8.4834 119.2463 58.2514 37.0598 174.7132 90 L 5.0177 7.1640 128.9838 55.3290 41.7023 173.2600 91 E 4.8849 7.6288 121.4737 56.0882 33.6345 175.4143 92 N 4.6949 8.6737 118.1830 53.7055 41.2219 174.7983 93 G 4.2706 8.4032 111.5294 44.1620 0.0000 171.8903 94 K 4.9935 8.7832 124.4009 57.2224 34.2556 176.1113 95 K 4.9992 8.4456 120.3050 55.0260 36.2118 175.9594 96 I 4.5552 8.0255 119.4295 59.9436 38.3011 175.9037 97 R 3.9463 8.4627 118.3232 55.7141 29.0919 176.7284 98 V 3.3785 8.7009 126.7164 63.1676 30.7389 170.6299 99 C 4.5587 7.3251 124.9243 59.2621 35.7300 177.0999 100 A 4.0661 9.4403 127.1195 52.8416 20.9436 176.9891 101 K 3.5993 7.7728 119.6912 57.4334 33.2300 175.0015 *102 C 4.3630 8.3650 115.8056 58.1797 28.5244 169.3292 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 4.12 0.00 1.82 1.91 0.00 3.44 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 3 V 8.23 3.17 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 0.78 0.00 0.00 0.92 0.00 0.00 4 K 8.78 4.33 0.00 1.86 1.84 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 1.38 7.81 5 M 7.69 4.36 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 6 H 8.31 4.90 0.00 3.46 3.61 0.00 5.53 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.96 4.27 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 0.75 0.00 0.00 0.90 0.00 0.00 8 K 8.54 4.22 0.00 1.68 1.77 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.48 7.81 9 K 8.11 4.24 0.00 1.77 1.72 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 10 G 8.75 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 11 D 7.55 4.39 0.00 2.85 2.66 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 12 T 8.48 4.63 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 13 V 8.83 4.86 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 1.06 0.00 0.00 0.99 0.00 0.00 14 L 9.25 5.51 0.00 1.72 1.62 1.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.23 4.55 2.37 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 0.95 0.00 0.00 1.08 0.00 0.00 16 A 7.92 5.52 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 17 S 7.82 5.03 0.00 4.05 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 18 G 8.90 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 19 K 8.96 3.82 0.00 1.70 1.89 0.00 1.90 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.73 1.27 7.81 20 Y 7.79 4.49 0.00 3.22 2.91 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 21 K 8.38 3.82 0.00 1.81 1.80 0.00 1.73 0.00 0.00 1.95 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.47 7.81 22 G 8.73 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 23 R 7.77 4.79 0.00 1.92 1.92 0.00 3.18 0.00 0.00 3.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.00 24 V 8.31 4.25 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 0.76 0.00 0.00 0.94 0.00 0.00 25 G 9.14 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 26 K 8.38 4.66 0.00 1.72 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81 27 V 8.55 4.07 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 1.19 0.00 0.00 0.98 0.00 0.00 28 K 8.45 4.41 0.00 1.90 1.84 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.47 7.81 29 E 8.17 3.58 0.00 2.01 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 0.00 2.23 2.33 0.00 30 V 7.92 3.57 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 0.84 0.00 0.00 0.96 0.00 0.00 31 L 8.27 3.94 0.00 1.87 1.50 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.71 0.00 2.22 2.26 0.00 3.80 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 1.98 1.92 0.00 33 K 7.64 3.68 0.00 1.73 1.84 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.51 7.81 34 K 7.73 4.02 0.00 1.79 1.87 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.43 7.81 35 Y 8.22 3.63 0.00 3.10 3.04 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 36 A 7.54 4.91 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 37 V 11.13 4.00 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 0.65 0.00 0.00 1.00 0.00 0.00 38 I 9.99 4.54 2.27 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 1.24 1.01 0.91 0.00 0.00 39 V 7.41 3.26 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 0.72 0.00 0.00 0.87 0.00 0.00 40 E 8.92 4.80 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 2.11 2.14 0.00 41 G 7.89 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 0.00 0.00 0.00 42 V 7.44 3.22 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 1.37 0.00 0.00 0.67 0.00 0.00 43 N 8.62 5.47 0.00 2.83 2.72 0.00 0.00 7.63 7.32 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 44 I 6.77 3.63 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 1.36 0.51 0.95 0.00 0.00 45 V 8.22 4.48 2.19 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 1.30 0.00 0.00 1.05 0.00 0.00 46 K 8.49 4.86 0.00 1.81 1.78 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.34 7.81 47 K 8.00 3.55 0.00 1.46 1.27 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.32 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 0.81 7.81 48 A 7.44 3.93 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 49 V 8.19 4.11 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 0.86 0.00 0.00 0.89 0.00 0.00 50 R 8.01 4.28 0.00 1.89 2.10 0.00 3.16 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 51 V 8.12 3.75 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 0.79 0.00 0.00 0.90 0.00 0.00 52 S 7.41 4.55 0.00 3.91 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 53 P 0.00 4.17 0.00 2.00 2.13 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 54 K 7.85 3.85 0.00 1.52 1.17 0.00 1.91 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.37 7.81 55 Y 8.44 3.38 0.00 3.12 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 4.21 0.00 2.23 2.16 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 57 Q 8.63 4.28 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 58 G 7.81 3.84 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 0.00 0.00 0.00 59 G 7.61 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 0.00 0.00 0.00 0.00 60 F 8.54 5.46 0.00 3.04 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 61 I 8.02 3.83 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.93 0.00 0.00 62 E 7.93 3.91 0.00 2.31 2.27 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 2.30 2.35 0.00 63 K 7.79 4.94 0.00 1.75 1.67 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 64 E 8.92 4.63 0.00 1.90 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 2.28 2.45 0.00 65 A 8.59 4.34 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 66 P 0.00 3.49 0.00 2.22 2.20 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 67 L 7.76 3.48 0.00 1.81 1.59 0.91 1.14 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 68 H 8.82 4.05 0.00 3.15 3.16 0.00 5.75 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 69 A 7.50 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.73 4.51 0.00 3.75 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 71 K 8.06 4.33 0.00 1.78 1.80 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.41 7.81 72 V 7.34 4.67 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 0.70 0.00 0.00 0.90 0.00 0.00 73 R 9.02 4.67 0.00 1.66 1.76 0.00 3.14 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 74 P 0.00 4.40 0.00 2.07 1.77 0.00 3.73 0.00 0.00 3.58 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 75 I 9.58 4.24 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 1.36 0.69 0.91 0.00 0.00 76 C 7.81 4.71 0.00 2.90 2.70 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 77 P 0.00 4.66 0.00 2.08 2.02 0.00 3.82 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 2.09 0.00 78 A 6.72 4.78 1.07 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 0.00 0.00 0.00 79 C 8.14 4.70 0.00 2.95 2.82 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 80 G 8.26 3.55 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 0.00 0.00 0.00 81 K 7.89 3.92 0.00 1.90 1.83 0.00 1.81 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.45 7.81 82 P 0.00 4.48 0.00 2.11 2.00 0.00 3.61 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 2.12 2.15 0.00 83 T 8.14 4.96 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 7.77 4.61 0.00 2.00 1.82 0.00 3.14 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 1.56 1.57 0.00 85 V 8.18 4.73 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 0.94 0.00 0.00 86 R 7.79 4.64 0.00 1.91 0.94 0.00 3.38 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 87 K 9.35 5.36 0.00 1.93 1.99 0.00 2.15 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.69 7.81 88 K 8.90 3.87 0.00 1.97 2.05 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.50 7.81 89 F 8.48 3.73 0.00 3.11 3.26 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 90 L 7.16 5.02 0.00 1.80 1.77 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.63 4.88 0.00 1.84 1.78 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 0.00 2.23 2.40 0.00 92 N 8.67 4.69 0.00 2.53 2.69 0.00 0.00 6.46 7.65 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 93 G 8.40 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 0.00 0.00 0.00 0.00 94 K 8.78 4.99 0.00 1.84 2.04 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.35 7.81 95 K 8.45 5.00 0.00 1.69 1.71 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.46 7.81 96 I 8.03 4.56 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 0.99 1.76 0.99 0.00 0.00 97 R 8.46 3.95 0.00 1.84 2.04 0.00 3.15 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 98 V 8.70 3.38 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 0.78 0.00 0.00 0.93 0.00 0.00 99 C 7.33 4.56 0.00 2.96 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 0.00 0.00 0.00 0.00 100 A 9.44 4.07 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 0.00 101 K 7.77 3.60 0.00 1.87 1.85 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.38 7.81 *102 C 8.36 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.