NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4398 8.3344 116.7982 58.1007 64.3030 173.1438 2 H 4.2943 8.7929 123.2922 55.9105 30.1504 172.8802 3 M 4.7110 8.5781 126.1008 52.9328 36.1054 175.0431 4 S 4.4309 8.3494 120.7469 57.6258 65.8243 175.1138 5 K 2.7665 8.4322 123.6851 59.2957 31.8538 178.9686 6 A 3.9418 7.7962 120.5771 55.1383 18.3234 179.6448 7 K 3.9216 8.0630 117.0105 59.2795 32.0129 179.2960 8 F 4.1031 7.9708 120.9937 61.5692 39.2817 176.9843 9 D 3.9511 8.4390 118.7203 56.9755 40.5550 178.7358 10 K 3.8126 8.1274 120.0017 59.3148 32.1650 178.6114 11 A 3.9673 8.0216 121.1629 55.1980 18.2416 179.7178 12 V 3.4406 7.4174 118.0760 65.4478 31.3003 177.6938 13 E 3.7886 7.7380 117.6323 59.3284 29.7099 178.6852 14 I 3.5610 7.6279 119.5770 64.2620 37.0603 178.4576 15 V 3.3543 7.8540 119.4039 66.2112 31.0652 178.1217 16 Q 3.9748 8.0688 116.6760 58.4315 28.5104 178.3784 17 S 4.2815 7.6601 114.4492 59.3275 63.6162 174.8055 18 L 4.1237 6.9917 123.1191 53.8380 41.8522 175.3377 19 P 4.4850 0.0000 0.0000 61.8930 32.0991 176.5004 20 K 3.9617 8.6833 122.0711 58.5639 32.3314 176.3947 21 D 4.7867 7.5415 118.1235 52.6685 42.3485 174.8779 22 G 4.0302 7.9528 113.9994 44.5381 0.0000 171.0796 23 P 4.2565 0.0000 0.0000 64.3948 31.4925 176.3677 24 I 4.2204 7.6087 119.2136 59.2255 37.2674 174.6666 25 K 4.4492 8.2205 125.7696 53.5307 33.9795 174.2892 26 P 4.5951 0.0000 0.0000 62.5229 32.0583 177.2973 27 T 4.2398 9.2248 113.5277 60.9910 71.0038 175.6162 28 Q 3.9708 8.5460 121.1018 59.6784 28.9691 177.9750 29 D 4.4284 8.0941 119.2116 57.5315 40.8259 178.5536 30 E 3.8858 8.1571 119.0907 59.2938 29.2973 179.4295 31 Q 4.3311 8.4305 118.4499 58.9589 28.7406 178.5819 32 L 4.1379 8.0612 120.0895 57.8397 41.6631 178.9906 33 Y 3.9301 8.0695 119.5593 60.7451 38.7168 177.9390 34 F 4.4935 8.5762 119.1863 60.7854 38.9470 176.9727 35 Y 4.1933 8.6531 119.7094 60.6845 38.6881 178.3672 36 K 3.7977 8.3742 119.8285 60.2685 32.5827 178.6344 37 Y 4.2796 7.8461 117.2819 60.0725 37.6647 177.7285 38 F 4.2977 8.9722 122.4204 61.3231 39.4968 177.2970 39 K 3.2327 7.6331 118.0184 59.2584 31.4457 179.2250 40 Q 4.2929 8.0808 120.7450 58.4888 28.7042 177.9352 41 A 3.6692 7.9037 121.2904 53.6095 18.4297 178.1744 42 T 4.1478 6.7153 105.7716 63.6164 70.3214 176.1665 43 V 3.7153 7.5171 121.3644 62.8881 32.7809 176.3637 44 G 4.0715 8.0465 105.9049 43.5406 0.0000 171.9053 45 D 4.4086 8.4868 121.6166 53.9976 41.4513 176.6890 46 V 2.0000 7.3458 121.8518 61.7641 31.0819 175.5379 47 N 4.9179 7.9158 119.0838 51.9854 37.9050 173.5055 48 I 4.7873 7.3155 110.4103 59.3003 40.8853 174.9675 49 S 4.3788 8.3860 116.9255 57.7010 63.4766 174.4254 50 R 2.5100 7.2101 122.6331 54.9451 30.0562 174.8024 51 P 4.3112 0.0000 0.0000 61.8937 32.2589 176.1217 52 G 3.7412 8.1745 108.2856 45.3286 0.0000 174.7929 53 L 3.8630 8.2386 119.5372 57.4995 41.6482 178.3938 54 M 3.4536 7.5643 115.2163 55.4397 32.3042 177.0450 55 D 4.5045 7.3019 121.1202 52.2897 38.6631 176.0027 56 F 4.2473 7.6149 123.2131 60.6343 39.5221 177.0232 57 T 4.0206 8.1055 114.6826 66.6608 68.3767 176.8396 58 G 3.7681 8.5895 108.7105 47.1615 0.0000 175.6515 59 K 4.1442 8.6493 121.5136 59.3729 32.6869 179.3019 60 A 4.0567 8.0368 121.7674 54.9833 18.3444 179.6740 61 K 3.7861 8.0435 117.0715 59.2577 32.0650 179.3527 62 W 4.3204 8.5428 128.5555 60.7282 30.7061 177.5173 63 D 4.5693 8.8625 118.8999 57.4880 40.0833 178.8103 64 A 3.9692 7.8613 119.7529 54.9246 18.7542 179.0283 65 W 4.3810 8.3666 126.8147 60.7317 30.7929 177.9270 66 K 3.2810 8.0620 119.9079 59.2601 31.1954 178.5674 67 S 4.2650 7.7758 113.0109 60.1459 63.0890 175.2197 68 V 4.2207 7.2660 115.4619 60.7141 31.8113 174.8726 69 E 4.0609 7.5649 121.4263 58.1203 29.6010 177.4287 70 G 3.9718 9.4780 114.8404 45.4289 0.0000 173.8109 71 T 4.1729 7.3597 117.0775 62.8399 69.3864 175.5293 72 S 4.3033 8.3327 120.6130 57.9306 65.3201 175.5180 73 K 3.5110 8.2584 122.3698 59.5007 31.7318 179.2258 74 E 3.6323 7.6601 119.0353 59.0477 29.6347 178.8645 75 V 3.5082 7.7290 118.1707 65.6853 31.5651 177.7878 76 A 3.8423 7.8528 120.5226 55.3351 18.2369 178.9424 77 Y 4.2683 7.8720 115.5199 61.4650 37.9040 179.0039 78 Q 4.0346 8.2233 120.0234 59.2897 29.2642 178.3645 79 K 3.9239 8.3285 119.8989 59.4308 31.6986 178.7704 80 Y 4.2747 8.2662 119.7489 60.8392 38.8233 178.0770 81 V 3.8973 8.3862 119.1492 66.3604 31.6148 177.7883 82 E 4.0007 8.6861 118.6223 59.2683 29.2707 179.3121 83 K 3.7128 8.2687 119.7225 59.2530 32.1217 178.6610 84 L 4.2612 8.1496 120.5915 58.2616 41.9805 178.8788 85 L 4.0307 8.3328 119.2895 57.6682 41.5540 178.9353 86 E 3.9011 8.4558 119.5081 59.5887 29.5570 179.0804 87 I 3.7357 7.8379 119.5562 64.4046 37.1786 178.5257 88 L 4.0639 8.4086 120.2816 57.6887 41.2090 179.7422 89 K 4.0159 8.1848 118.0296 59.2732 32.0570 179.0479 90 K 4.0653 8.0509 118.8881 59.2538 32.1549 178.4782 91 A 4.0013 8.0204 120.4352 53.6864 19.2484 177.3270 92 D 4.2474 8.0674 114.1711 56.1157 40.0189 172.6574 93 T 4.6750 7.7027 109.0919 59.4948 73.4330 174.1248 94 E 3.8727 8.4716 120.2185 59.2239 29.4334 179.3213 95 E 3.5997 7.9222 119.3079 59.1815 29.7587 178.8707 96 S 3.8892 7.9063 114.2909 61.2902 62.9398 176.5222 97 K 3.9097 8.2468 122.3879 59.0341 31.7517 179.1657 98 K 3.9461 7.8756 119.9054 59.6780 32.1084 178.5441 99 Y 4.4238 7.7141 116.8934 61.1629 37.7624 178.3356 100 I 3.7462 8.1182 120.7048 64.5706 37.3770 178.2747 101 A 4.0308 8.2412 121.4271 55.2584 17.9290 179.5932 102 E 3.9823 8.0833 116.3300 59.4774 29.8684 179.2772 103 I 3.8525 7.9430 119.9227 64.4233 36.9891 177.9899 104 E 3.9519 8.2089 118.6787 58.9550 29.5357 177.8846 105 A 4.3687 7.6683 117.0796 52.3130 19.2109 176.9736 106 A 4.1078 7.6651 125.5646 52.2496 18.5009 177.4632 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 S 8.33 4.44 0.00 3.90 3.90 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 2 H 8.79 4.29 0.00 3.17 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 M 8.58 4.71 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.70 0.00 4 S 8.35 4.43 0.00 4.07 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 0.00 5 K 8.43 2.77 0.00 1.69 1.73 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.27 7.81 6 A 7.80 3.94 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 7 K 8.06 3.92 0.00 1.83 1.90 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.44 7.81 8 F 7.97 4.10 0.00 2.84 2.69 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 9 D 8.44 3.95 0.00 2.72 2.60 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 0.00 0.00 0.00 0.00 10 K 8.13 3.81 0.00 1.88 1.90 0.00 1.46 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 11 A 8.02 3.97 1.57 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 0.00 0.00 12 V 7.42 3.44 1.79 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 1.15 0.00 0.00 -0.27 0.00 0.00 13 E 7.74 3.79 0.00 1.89 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 0.00 2.19 2.26 0.00 14 I 7.63 3.56 1.86 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 0.94 0.63 0.65 0.00 0.00 15 V 7.85 3.35 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 0.61 0.00 0.00 0.09 0.00 0.00 16 Q 8.07 3.97 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 17 S 7.66 4.28 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 18 L 6.99 4.12 0.00 1.59 1.66 0.90 1.50 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 19 P 0.00 4.49 0.00 2.25 1.98 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 20 K 8.68 3.96 0.00 1.71 1.84 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.44 7.81 21 D 7.54 4.79 0.00 2.63 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 22 G 7.95 4.03 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 0.00 0.00 0.00 23 P 0.00 4.26 0.00 2.18 2.19 0.00 3.73 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 1.99 1.98 0.00 24 I 7.61 4.22 1.95 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 1.31 0.66 1.00 0.00 0.00 25 K 8.22 4.45 0.00 1.84 1.68 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.33 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.45 7.81 26 P 0.00 4.60 0.00 2.23 2.24 0.00 3.79 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 2.14 2.25 0.00 27 T 9.22 4.24 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 1.26 0.00 0.00 28 Q 8.55 3.97 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 29 D 8.09 4.43 0.00 2.73 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 30 E 8.16 3.89 0.00 2.24 1.80 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 2.05 2.23 0.00 31 Q 8.43 4.33 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 32 L 8.06 4.14 0.00 1.98 1.81 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 8.07 3.93 0.00 3.19 2.89 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 34 F 8.58 4.49 0.00 3.35 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 35 Y 8.65 4.19 0.00 3.24 3.24 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 36 K 8.37 3.80 0.00 1.93 2.04 0.00 1.18 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.19 0.39 7.81 37 Y 7.85 4.28 0.00 3.35 3.38 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 38 F 8.97 4.30 0.00 3.44 3.24 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 39 K 7.63 3.23 0.00 0.79 0.74 0.00 1.25 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 40 Q 8.08 4.29 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 41 A 7.90 3.67 0.69 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 0.00 0.00 42 T 6.72 4.15 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 0.84 0.00 0.00 43 V 7.52 3.72 2.26 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 1.04 0.00 0.00 0.85 0.00 0.00 44 G 8.05 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 0.00 0.00 0.00 0.00 45 D 8.49 4.41 0.00 2.59 2.45 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 46 V 7.35 2.00 0.67 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 0.10 0.00 0.00 -0.20 0.00 0.00 47 N 7.92 4.92 0.00 2.81 2.86 0.00 0.00 5.95 7.81 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 48 I 7.32 4.79 2.01 0.00 0.00 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 1.67 1.18 1.07 0.00 0.00 49 S 8.39 4.38 0.00 3.81 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 50 R 7.21 2.51 0.00 0.67 1.03 0.00 2.70 0.00 0.00 2.91 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.97 0.00 51 P 0.00 4.31 0.00 2.00 2.06 0.00 3.52 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 52 G 8.17 3.74 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 0.00 53 L 8.24 3.86 0.00 1.53 1.65 0.88 0.83 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 54 M 7.56 3.45 0.00 1.79 1.92 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 55 D 7.30 4.50 0.00 2.62 2.58 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 56 F 7.61 4.25 0.00 3.14 3.07 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 57 T 8.11 4.02 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 1.20 0.00 0.00 58 G 8.59 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 0.00 0.00 0.00 59 K 8.65 4.14 0.00 1.96 2.03 0.00 1.29 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.75 1.51 7.81 60 A 8.04 4.06 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.04 3.79 0.00 1.89 1.26 0.00 1.46 0.00 0.00 0.97 0.00 0.00 2.45 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.55 1.29 7.81 62 W 8.54 4.32 0.00 3.65 3.42 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 63 D 8.86 4.57 0.00 3.03 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 64 A 7.86 3.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.37 4.38 0.00 3.53 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 66 K 8.06 3.28 0.00 0.79 1.39 0.00 1.30 0.00 0.00 1.14 0.00 0.00 3.14 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.26 7.81 67 S 7.78 4.27 0.00 4.04 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 0.00 68 V 7.27 4.22 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 0.21 0.00 0.00 0.85 0.00 0.00 69 E 7.56 4.06 0.00 1.82 1.74 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 2.22 2.23 0.00 70 G 9.48 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 71 T 7.36 4.17 4.38 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 1.29 0.00 0.00 72 S 8.33 4.30 0.00 3.94 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 73 K 8.26 3.51 0.00 1.41 1.05 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.30 7.81 74 E 7.66 3.63 0.00 1.93 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 2.36 2.56 0.00 75 V 7.73 3.51 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 0.82 0.00 0.00 0.89 0.00 0.00 76 A 7.85 3.84 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.87 4.27 0.00 3.03 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 78 Q 8.22 4.03 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 79 K 8.33 3.92 0.00 0.79 1.15 0.00 1.73 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 0.98 7.81 80 Y 8.27 4.27 0.00 3.66 3.54 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 81 V 8.39 3.90 2.31 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 1.17 0.00 0.00 1.23 0.00 0.00 82 E 8.69 4.00 0.00 2.16 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 2.37 2.48 0.00 83 K 8.27 3.71 0.00 1.62 1.74 0.00 0.98 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.34 0.62 7.81 84 L 8.15 4.26 0.00 2.01 1.97 0.97 0.68 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 85 L 8.33 4.03 0.00 1.89 1.74 0.97 1.04 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 86 E 8.46 3.90 0.00 2.03 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 0.00 2.25 2.32 0.00 87 I 7.84 3.74 2.10 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 1.58 0.54 0.98 0.00 0.00 88 L 8.41 4.06 0.00 1.85 1.76 1.07 0.89 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 89 K 8.18 4.02 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.64 7.81 90 K 8.05 4.07 0.00 1.80 1.99 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 91 A 8.02 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.25 0.00 2.98 2.68 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 93 T 7.70 4.68 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 1.23 0.00 0.00 94 E 8.47 3.87 0.00 1.94 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 2.36 2.28 0.00 95 E 7.92 3.60 0.00 1.86 1.73 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 1.53 1.94 0.00 96 S 7.91 3.89 0.00 4.12 4.03 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 97 K 8.25 3.91 0.00 1.91 1.87 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.56 7.81 98 K 7.88 3.95 0.00 1.93 1.80 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.50 7.81 99 Y 7.71 4.42 0.00 3.16 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 0.00 100 I 8.12 3.75 2.07 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 1.50 0.79 0.94 0.00 0.00 101 A 8.24 4.03 1.39 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 0.00 0.00 102 E 8.08 3.98 0.00 2.19 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 0.00 2.60 2.54 0.00 103 I 7.94 3.85 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.10 0.95 0.00 0.00 104 E 8.21 3.95 0.00 1.96 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 0.00 2.34 2.40 0.00 105 A 7.67 4.37 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 0.00 106 A 7.67 4.11 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