NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6136 8.1633 120.6364 55.4408 34.6561 173.6097 2 R 4.8440 8.4394 119.8907 54.7699 31.7289 174.3183 3 I 5.2977 8.8357 122.0927 59.4780 42.7201 172.9463 4 F 4.9043 8.8188 129.6451 57.3431 40.5877 175.3176 5 V 3.8752 8.3460 127.6324 61.6175 31.9736 175.1688 6 Y 4.5484 8.2313 125.7181 56.4773 38.6974 176.9914 7 G 3.3264 6.7153 107.9000 44.4501 0.0000 171.2807 8 S 2.7900 5.8100 120.3661 56.9001 64.3711 174.1367 9 L 4.1518 8.4882 120.6912 57.5758 41.6332 178.9523 10 R 3.8499 7.3416 117.6990 57.0977 30.4976 177.4972 11 H 3.6025 7.4836 112.1788 56.2932 29.5528 173.3016 12 K 4.5134 7.9017 116.9412 55.5214 34.9802 177.2938 13 Q 4.2359 8.7987 124.0841 56.4713 30.4498 178.8624 14 G 4.0693 8.7730 107.7395 45.8777 0.0000 173.8784 15 N 4.8956 9.1984 115.3913 53.5873 40.6831 175.2711 16 S 4.6280 8.0018 119.2465 59.2776 66.0579 178.1573 17 H 3.8771 7.2304 118.0724 58.2679 28.3815 176.8424 18 W 4.6370 7.7629 115.3253 57.4345 28.9049 176.1935 19 M 4.7741 8.2176 114.1395 54.9526 31.5909 176.2478 20 T 4.2419 7.4626 116.0996 65.1898 69.5226 175.2250 21 N 4.5146 7.7727 117.2677 52.7766 38.1747 174.8954 22 A 4.1333 7.8695 122.7332 52.6287 18.3598 176.4621 23 Q 4.4667 8.9993 125.4736 54.8371 30.8046 174.5688 24 L 3.1894 8.4151 129.2214 54.8751 41.6090 176.3513 25 L 3.9828 7.8041 128.0852 56.2743 42.3182 178.0596 26 G 3.9854 7.1216 106.2429 43.6704 0.0000 170.7989 27 D 4.8596 7.7928 119.9218 53.3128 40.6093 176.6751 28 F 4.9903 8.7699 124.0388 57.9246 41.6066 173.2047 29 S 5.4912 9.0010 123.2155 56.9628 64.6918 173.1942 30 I 4.4721 8.0159 117.6248 59.0338 39.6419 174.8019 31 D 4.9168 8.7366 126.2543 53.7934 42.8803 174.8737 32 N 4.5119 8.8472 115.2487 54.2348 36.3281 173.5943 33 Y 5.3289 7.9608 113.6859 56.4654 42.1309 174.9261 34 Q 4.6555 9.2218 120.2868 54.0006 33.3879 173.9037 35 L 5.1233 8.1379 123.1795 53.7051 44.5657 174.9199 36 Y 5.3331 9.6163 124.9172 56.5654 40.8799 175.0116 37 S 4.9481 9.3529 117.4879 56.5216 65.2293 173.8698 38 L 4.6757 8.2816 123.5612 55.4566 40.5681 176.4138 39 G 3.8978 8.0173 111.1548 46.6997 0.0000 174.5304 40 H 4.3281 7.0969 116.6066 55.7431 30.5830 175.1115 41 Y 4.4525 6.3429 117.7329 56.1705 39.7946 173.5295 42 P 5.1321 0.0000 0.0000 62.0255 33.6584 174.6570 43 G 4.5689 9.4604 105.8340 44.7101 0.0000 171.5662 44 A 5.3468 8.1747 119.2327 50.3676 22.8706 175.6402 45 V 4.9093 8.6117 112.9606 59.2743 37.1335 172.3318 46 P 4.4140 0.0000 0.0000 61.8756 31.8194 174.3142 47 G 3.9017 9.0046 116.7993 46.4887 0.0000 175.7887 48 N 5.1311 8.9640 122.9548 50.7549 40.1898 172.1183 49 G 3.9111 7.6807 109.6566 46.1539 0.0000 169.6309 50 T 4.9428 7.7981 117.0075 61.6142 70.3983 174.7114 51 V 4.6227 8.9571 129.1268 61.1821 31.9594 175.7788 52 H 5.1319 7.3985 132.7076 54.8465 27.4216 173.4044 53 G 4.4255 7.8932 109.3991 44.8001 0.0000 170.7079 54 E 5.0643 8.0736 118.7375 54.2927 33.3310 174.8421 55 V 4.7947 8.4527 125.8465 61.5304 34.0194 174.0483 56 Y 4.7402 8.7676 124.1632 56.1639 42.2488 174.7674 57 R 4.6826 9.0435 123.4907 55.0552 31.4280 174.9676 58 I 5.1085 8.1935 119.6293 58.5162 40.4127 174.9734 59 D 4.4874 9.5215 123.7087 54.8512 41.3533 176.9861 60 N 4.6128 8.9744 122.1151 56.2306 37.4387 177.4014 61 A 3.9829 7.9244 121.8925 55.0415 18.4557 179.6224 62 T 3.5225 8.3430 114.5868 66.3752 68.2499 176.5887 63 L 4.1196 7.7868 121.9789 58.2910 42.2584 178.8681 64 A 4.0516 8.0513 120.1306 54.9658 18.2151 179.1592 65 E 3.8923 8.1006 118.0851 59.3390 29.7776 178.7626 66 L 4.0837 8.2321 120.4172 58.2170 42.1952 178.3635 67 D 4.2971 8.5952 118.1307 57.4898 41.0290 178.1672 68 A 3.9895 7.9392 119.6184 54.8462 18.3560 179.0678 69 L 4.1532 7.4871 116.4101 56.9969 41.9629 179.0249 70 R 4.0122 7.7448 117.8986 58.5429 30.4628 177.6609 71 T 4.3090 7.6071 111.9941 61.3522 67.6758 172.9999 72 R 4.1061 7.8872 120.3256 60.1877 29.1750 174.8878 73 G 3.7687 9.6295 115.3550 44.8721 0.0000 173.1279 74 G 4.1371 8.0697 109.4564 46.3134 0.0000 171.8900 75 E 4.1262 9.1637 123.8881 57.4024 31.3842 175.0424 76 Y 5.1646 7.5429 112.0322 56.2772 42.5523 174.1775 77 A 4.8903 8.7682 121.0424 50.4774 22.2928 176.2819 78 R 4.3368 8.5414 119.3101 55.2437 31.2283 176.2762 79 Q 4.4532 9.4093 128.3143 54.2224 30.3203 174.2114 80 L 4.3390 8.4773 130.0682 54.3637 42.7320 175.6180 81 I 4.3814 8.5742 121.1151 59.0595 40.2272 175.0865 82 Q 4.3987 8.7219 127.4755 55.3008 28.2628 174.8802 83 T 4.4601 7.9581 116.0090 59.2425 70.6514 174.4963 84 P 4.0461 0.0000 0.0000 64.8852 31.3081 176.9253 85 Y 4.3562 7.2977 114.3062 57.0892 38.2467 175.1068 86 G 4.1797 7.9632 108.5926 43.6564 0.0000 174.0807 87 S 4.3902 8.5355 117.1927 58.3259 63.4734 173.7536 88 A 4.9830 9.0327 126.9558 49.7165 22.5588 174.9565 89 W 4.6747 8.9244 120.8994 56.4041 30.6023 175.0604 90 M 4.9186 9.3024 125.4439 53.9480 33.3029 173.9179 91 Y 4.8880 8.6059 123.8149 57.0214 39.9008 174.5022 92 V 5.0458 8.8149 125.0693 60.1613 33.9935 174.5356 93 Y 4.8812 8.9355 124.5111 58.2495 37.6660 175.9662 94 Q 4.2512 9.1632 121.8533 55.2121 30.6085 174.7324 95 R 4.7078 7.7261 114.4038 54.5229 33.8915 172.6809 96 P 4.1560 0.0000 0.0000 62.3042 31.7921 175.9987 97 V 3.7643 8.2001 115.8229 60.9913 31.4606 174.8129 98 D 4.1743 7.8187 120.2602 56.7921 40.6969 175.9061 99 G 3.8463 8.9907 115.2047 45.7270 0.0000 172.1054 100 L 4.6465 7.4409 118.8719 53.0891 43.9908 175.9570 101 K 4.6266 8.4015 119.2539 55.0511 34.3030 175.6105 102 L 4.9145 8.4914 125.4133 53.5780 44.3595 176.4204 103 I 4.4019 9.0444 129.0692 59.5525 36.4307 176.2158 104 E 4.0249 8.5267 124.0258 58.0742 30.5504 179.2542 105 S 4.0171 8.0387 115.1865 62.0254 62.7485 175.4901 106 G 4.4923 8.1637 106.1718 45.8958 0.0000 172.3872 107 D 3.9653 7.2093 117.9536 51.6138 43.2182 176.1262 108 W 4.4496 6.6686 123.8887 59.0998 28.9208 176.6028 109 L 4.2801 7.9217 118.2065 52.4135 42.7522 177.8877 110 D 4.6526 8.2071 122.1265 55.9162 41.1887 175.9920 111 R 4.4034 8.7125 115.6124 56.5251 29.6351 177.0096 112 D 4.4846 8.0642 118.1901 52.7206 40.3163 176.4642 113 K 4.1061 8.0578 124.7441 57.4406 34.4642 174.6648 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 8.16 4.61 0.00 2.52 2.23 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 3.18 0.00 2 R 8.44 4.84 0.00 2.11 1.92 0.00 3.22 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 3 I 8.84 5.30 2.18 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 2.00 1.12 0.00 0.00 4 F 8.82 4.90 0.00 3.15 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 5 V 8.35 3.88 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 0.58 0.00 0.00 0.73 0.00 0.00 6 Y 8.23 4.55 0.00 3.40 3.35 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 7 G 6.72 3.33 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 8 S 5.81 2.79 0.00 4.02 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 9 L 8.49 4.15 0.00 1.76 1.87 1.11 1.35 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 10 R 7.34 3.85 0.00 1.87 1.88 0.00 3.30 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 11 H 7.48 3.60 0.00 3.03 3.03 0.00 5.54 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.90 4.51 0.00 1.47 1.42 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.54 7.81 13 Q 8.80 4.24 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.86 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 14 G 8.77 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 15 N 9.20 4.90 0.00 2.80 2.95 0.00 0.00 5.79 7.54 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 16 S 8.00 4.63 0.00 3.89 4.02 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 0.00 0.00 0.00 17 H 7.23 3.88 0.00 2.41 2.55 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 W 7.76 4.64 0.00 3.38 3.15 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 19 M 8.22 4.77 0.00 2.14 2.16 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 2.50 2.64 0.00 20 T 7.46 4.24 4.21 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 1.20 0.00 0.00 21 N 7.77 4.51 0.00 2.77 2.87 0.00 0.00 5.87 6.92 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 22 A 7.87 4.13 1.45 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 0.00 0.00 23 Q 9.00 4.47 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 24 L 8.42 3.19 0.00 1.40 1.44 0.40 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.80 3.98 0.00 1.38 1.49 1.03 0.87 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 26 G 7.12 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 0.00 0.00 0.00 27 D 7.79 4.86 0.00 2.72 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 28 F 8.77 4.99 0.00 3.04 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 29 S 9.00 5.49 0.00 3.83 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 30 I 8.02 4.47 1.80 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.64 0.13 0.00 0.00 31 D 8.74 4.92 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.85 4.51 0.00 2.67 2.57 0.00 0.00 6.60 6.98 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 33 Y 7.96 5.33 0.00 2.71 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 34 Q 9.22 4.66 0.00 1.73 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 35 L 8.14 5.12 0.00 1.83 1.56 1.38 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 9.62 5.33 0.00 2.91 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 37 S 9.35 4.95 0.00 3.87 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 38 L 8.28 4.68 0.00 1.84 1.83 1.21 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.02 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 0.00 0.00 0.00 40 H 7.10 4.33 0.00 2.21 2.99 0.00 5.89 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 6.34 4.45 0.00 3.24 3.06 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 42 P 0.00 5.13 0.00 2.45 2.28 0.00 3.76 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 1.83 1.91 0.00 43 G 9.46 4.57 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 0.00 44 A 8.17 5.35 0.96 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 45 V 8.61 4.91 2.35 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 1.16 0.00 0.00 1.21 0.00 0.00 46 P 0.00 4.41 0.00 1.89 1.77 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.35 0.00 47 G 9.00 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 0.00 0.00 0.00 48 N 8.96 5.13 0.00 2.49 2.67 0.00 0.00 6.54 7.61 0.00 0.00 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 G 7.68 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 50 T 7.80 4.94 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 1.18 0.00 0.00 51 V 8.96 4.62 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 1.64 0.00 0.00 1.01 0.00 0.00 52 H 7.40 5.13 0.00 2.97 2.93 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.89 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 54 E 8.07 5.06 0.00 2.07 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 2.21 2.21 0.00 55 V 8.45 4.79 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 1.14 0.00 0.00 1.42 0.00 0.00 56 Y 8.77 4.74 0.00 2.96 2.88 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 57 R 9.04 4.68 0.00 1.91 1.85 0.00 3.08 0.00 0.00 3.44 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 58 I 8.19 5.11 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.13 1.20 0.00 0.00 59 D 9.52 4.49 0.00 2.57 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 60 N 8.97 4.61 0.00 3.07 3.11 0.00 0.00 6.04 8.00 0.00 0.00 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 A 7.92 3.98 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 62 T 8.34 3.52 4.10 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 -0.07 0.00 0.00 63 L 7.79 4.12 0.00 1.92 1.98 1.10 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.05 4.05 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 65 E 8.10 3.89 0.00 2.06 2.22 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 2.45 2.37 0.00 66 L 8.23 4.08 0.00 2.36 2.11 0.41 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.60 4.30 0.00 2.92 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 68 A 7.94 3.99 1.34 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 69 L 7.49 4.15 0.00 1.88 1.70 0.98 1.13 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 70 R 7.74 4.01 0.00 1.64 1.68 0.00 2.21 0.00 0.00 2.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 71 T 7.61 4.31 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 1.33 0.00 0.00 72 R 7.89 4.11 0.00 2.06 1.84 0.00 3.25 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 73 G 9.63 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 74 G 8.07 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 0.00 0.00 0.00 0.00 75 E 9.16 4.13 0.00 1.59 1.58 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 1.60 1.47 0.00 76 Y 7.54 5.16 0.00 3.08 3.09 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 0.00 0.00 0.00 0.00 77 A 8.77 4.89 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 78 R 8.54 4.34 0.00 1.71 1.84 0.00 2.77 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.52 0.00 79 Q 9.41 4.45 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.13 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 80 L 8.48 4.34 0.00 0.62 1.23 -0.46 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.57 4.38 1.84 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.74 0.88 0.00 0.00 82 Q 8.72 4.40 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 83 T 7.96 4.46 3.86 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 1.52 0.00 0.00 84 P 0.00 4.05 0.00 1.25 1.79 0.00 2.75 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 85 Y 7.30 4.36 0.00 2.92 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 86 G 7.96 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 87 S 8.54 4.39 0.00 3.69 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 9.03 4.98 1.34 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 89 W 8.92 4.67 0.00 3.36 2.88 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 90 M 9.30 4.92 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 91 Y 8.61 4.89 0.00 2.88 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 92 V 8.81 5.05 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 1.36 0.00 0.00 1.08 0.00 0.00 93 Y 8.94 4.88 0.00 3.02 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 94 Q 9.16 4.25 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.66 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 95 R 7.73 4.71 0.00 1.82 1.79 0.00 3.27 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 96 P 0.00 4.16 0.00 2.10 2.02 0.00 3.98 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 2.07 2.09 0.00 97 V 8.20 3.76 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 -0.91 0.00 0.00 0.50 0.00 0.00 98 D 7.82 4.17 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 3.85 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 0.00 0.00 0.00 100 L 7.44 4.65 0.00 1.61 1.67 0.74 0.84 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 0.00 101 K 8.40 4.63 0.00 1.85 1.74 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.39 7.81 102 L 8.49 4.91 0.00 1.65 1.53 0.67 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 103 I 9.04 4.40 1.87 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.34 1.01 0.00 0.00 104 E 8.53 4.02 0.00 2.02 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 2.23 2.21 0.00 105 S 8.04 4.02 0.00 3.82 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 0.00 106 G 8.16 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.21 3.97 0.00 2.24 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 0.00 0.00 0.00 108 W 6.67 4.45 0.00 3.37 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 0.00 109 L 7.92 4.28 0.00 1.87 1.61 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.21 4.65 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.71 4.40 0.00 1.76 1.93 0.00 3.21 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 112 D 8.06 4.48 0.00 2.76 2.79 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 0.00 0.00 0.00 0.00 113 K 8.06 4.11 0.00 1.97 1.86 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.35 7.81