NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8293 8.3544 109.7216 44.8893 0.0000 173.7954 4 D 4.1336 8.5714 125.1698 53.7495 42.2845 175.6111 5 K 3.9631 9.4792 128.3055 59.2963 32.6950 178.5651 6 K 4.1888 7.9854 118.0585 58.5701 32.0497 179.3056 7 V 3.6863 7.9796 118.3243 66.2714 31.4598 177.9380 8 I 3.7138 7.5361 119.5129 64.3982 36.8182 178.5326 9 Q 3.9421 7.7166 118.7019 59.3063 28.5158 178.3180 10 H 4.1240 8.3865 117.4271 58.8985 28.6994 177.9285 11 L 3.9925 8.2873 120.8916 58.0475 41.5370 179.4137 12 N 4.4355 8.5727 116.5998 55.8544 38.4653 177.4903 13 K 3.9572 8.1576 121.5631 59.2585 32.2252 178.9501 14 I 3.6668 7.9787 120.2395 64.3391 37.1245 177.7830 15 L 4.0052 8.5537 121.6619 58.4483 41.6935 179.0699 16 G 3.7935 8.1515 105.2928 48.2633 0.0000 175.3194 17 N 4.3799 8.0236 118.4528 55.8808 38.4920 177.3028 18 E 3.9644 8.5076 120.4051 59.6187 29.7358 179.5352 19 L 4.0266 8.0282 118.7640 57.7665 41.6958 179.6867 20 I 3.7800 7.6373 119.4891 64.0503 36.9375 178.3378 21 A 3.3495 7.7638 121.8102 54.7934 18.1662 179.2695 22 I 3.6196 7.9390 118.6786 65.0757 37.1790 178.3481 23 N 4.3446 7.7750 115.3957 56.1959 38.3653 177.1652 24 Q 3.8437 7.7446 120.7587 59.7529 29.1158 178.4546 25 Y 4.6119 7.8898 117.5290 60.9388 37.8765 178.2301 26 F 4.0324 8.5421 121.8704 61.1144 39.5225 176.9773 27 L 4.0107 8.3202 120.1055 58.4913 41.9430 178.3811 28 H 3.7827 8.3451 116.3180 59.0528 28.6630 177.1028 29 S 4.3137 8.5004 114.9013 62.1631 62.0523 176.7236 30 R 3.8958 7.9653 120.1449 59.1079 29.6681 179.1991 31 M 3.4661 8.0985 119.1491 58.0500 31.9220 178.4785 32 W 4.6547 7.6804 118.8942 60.2696 29.3271 178.4632 33 N 4.4220 8.2542 116.2106 56.2966 37.7883 176.8947 34 D 4.3696 8.0342 118.6729 57.2413 41.3841 178.0592 35 W 4.7931 8.1113 117.8058 57.9596 29.2264 177.3316 36 G 4.0614 8.1140 106.7175 45.3522 0.0000 174.7025 37 L 4.5728 8.0470 122.2620 53.5491 40.2204 177.6105 38 K 4.1947 8.4390 120.1258 58.3423 32.4852 178.7970 39 R 3.9894 7.7199 119.6769 58.7987 30.1065 178.2772 40 L 3.7974 7.6620 118.5069 57.5578 41.5334 179.2895 41 G 3.8848 8.0465 105.4646 47.9151 0.0000 175.4600 42 A 4.0125 7.9862 123.2585 55.1550 18.3686 179.1597 43 H 3.9957 8.1733 116.7869 59.4770 29.9322 177.1030 44 E 4.0317 8.9138 121.4846 59.3727 29.5661 178.0456 45 Y 4.0317 8.3592 119.8458 61.0137 38.7256 177.8715 46 H 4.0670 8.0990 116.6165 58.4284 28.8125 177.6026 47 E 3.9391 7.7766 120.5098 59.3188 29.2536 179.2647 48 S 4.3469 8.2423 113.3052 61.3988 62.4784 176.2863 49 I 3.6380 7.4719 122.5140 64.3273 36.7828 178.0514 50 D 4.2754 8.2109 119.9033 57.4637 40.6070 178.7436 51 E 4.1753 8.2123 118.8694 59.2997 29.4595 179.2473 52 M 4.0630 7.7856 118.6374 58.2795 32.0143 178.8882 53 K 4.0049 8.0773 118.6773 59.6716 32.2093 179.0683 54 H 4.2654 8.1993 116.3454 58.9179 28.6261 177.6758 55 A 4.0273 7.9908 122.5509 54.9933 18.1664 179.1147 56 D 4.2313 8.1390 116.5253 57.5958 41.4969 178.5227 57 K 3.9242 8.0675 118.8616 59.5828 31.9762 179.3525 58 L 4.0172 8.0464 118.9841 57.9132 41.6743 179.4481 59 I 3.7052 8.1987 120.1523 64.6124 36.9578 178.4010 60 E 4.0369 8.2518 119.3578 59.1462 29.2118 179.3521 61 R 3.9806 7.9448 118.3629 59.5341 30.3209 178.3569 62 I 3.7195 7.9408 119.7541 64.7773 37.2294 178.4586 63 L 4.0661 7.9421 119.2765 57.6547 41.1720 179.3589 64 F 4.3363 8.2671 120.1992 60.7682 39.4469 176.4065 65 L 3.8856 7.9461 116.4079 54.4546 41.6764 177.2784 66 E 3.7883 7.7294 117.7263 56.5315 27.5066 174.9482 67 G 3.8544 7.5144 108.2677 44.5244 0.0000 173.1283 68 L 4.5737 8.0453 119.5763 51.9695 42.6571 174.9428 69 P 4.3932 0.0000 0.0000 62.6780 31.7554 176.4476 70 N 4.7235 9.2378 121.7828 52.2050 38.3031 174.0485 71 L 4.4609 8.1108 122.5244 54.4484 42.4623 177.8091 72 Q 4.0778 8.0708 120.7365 58.3717 29.3854 175.7825 73 D 4.5862 7.9813 117.4278 53.0961 41.6825 175.6952 74 L 4.5339 8.2439 124.7997 52.8645 43.8864 176.7044 75 G 3.7860 8.3462 117.6751 45.0075 0.0000 170.5776 76 K 4.2462 8.3815 121.8192 54.8900 32.6390 177.5596 77 L 4.0983 8.4098 126.9224 55.0432 42.2079 177.8759 78 L 4.5051 8.2796 124.3156 53.3460 40.3770 174.8553 79 I 4.0059 7.7614 121.6168 60.5250 38.1434 176.4904 80 G 4.0551 8.6653 114.4379 44.4837 0.0000 172.8747 81 E 4.7003 8.9750 115.5944 55.8921 30.6302 175.4877 82 N 5.1393 7.6702 116.9092 50.7702 42.0633 174.9411 83 T 4.3904 8.5622 116.1499 67.1941 68.5280 176.6546 84 Q 4.0701 8.2430 120.8566 59.0463 29.0668 177.8293 85 E 4.0864 8.6272 119.9146 59.4061 29.5630 179.0526 86 M 4.0018 8.3594 119.0048 58.1316 31.8295 178.8298 87 L 4.1070 8.2095 119.1499 58.0962 41.9067 179.1655 88 Q 3.9653 8.1319 119.3976 59.5440 28.7880 178.6406 89 C 4.2023 8.4401 117.7872 62.9442 28.2082 175.6844 90 D 4.6735 8.2592 120.4990 57.2386 40.4114 178.5424 91 L 3.9499 8.2859 121.0219 58.3249 42.1500 178.4835 92 N 4.2784 8.2821 116.4009 56.5195 38.5971 176.9577 93 L 3.9864 8.1017 121.2749 58.4656 42.1428 178.9777 94 E 4.1433 8.5894 118.4775 59.2550 29.2394 179.2766 95 L 4.0234 8.5179 119.7266 57.6220 41.5061 179.4335 96 K 3.9817 8.2581 119.5241 59.1652 32.0607 178.9143 97 A 4.0261 7.9682 121.2471 55.2257 18.3601 179.4053 98 T 3.8295 8.0542 114.4772 66.8284 68.6803 176.3727 99 K 3.8901 7.7344 121.0928 59.9281 32.2896 178.5981 100 D 4.4456 7.9102 118.9787 57.0024 40.6431 178.7628 101 L 3.9797 8.1238 119.8638 57.8693 41.5995 179.6636 102 R 3.9226 7.9943 117.8437 59.4474 30.1547 178.9564 103 E 3.9333 8.0877 117.5568 59.4507 29.3875 179.3683 104 A 3.7235 7.9077 120.6709 54.7549 18.4187 179.8837 105 I 3.6603 7.6736 118.6646 64.3273 37.0046 178.3637 106 V 3.5684 7.6552 118.1473 66.4512 31.6334 177.2164 107 H 4.2221 7.9864 117.1349 59.6779 29.7638 176.7813 108 C 3.9284 8.1620 118.4856 62.9717 27.9052 176.0029 109 E 3.8948 8.2170 120.8177 59.2211 29.0241 178.6579 110 Q 3.8900 7.6653 119.0149 58.7350 29.1891 177.0040 111 V 3.7933 7.3762 107.6629 61.0349 32.0226 175.6352 112 H 3.1166 7.4217 115.5579 57.0093 26.7517 176.3407 113 D 4.5425 7.3523 120.1770 53.4298 37.8007 175.8020 114 Y 4.3045 7.4073 121.2896 60.6408 38.5327 178.0936 115 V 3.6527 7.8403 118.9856 66.1667 31.9163 178.1414 116 S 4.2142 8.4584 114.8743 61.5174 62.5093 176.7045 117 R 3.9834 7.8863 121.2056 59.0409 29.7703 178.1022 118 D 4.2682 8.0839 118.1181 57.1443 41.3224 177.5422 119 L 3.9132 7.7573 120.7880 58.4970 41.8997 179.1343 120 L 4.0447 7.9320 120.3978 58.4384 41.6333 180.2634 121 K 3.7131 8.2991 123.7148 59.7834 31.3626 180.7474 122 D 4.5279 8.1437 119.0012 57.5631 40.7584 178.6917 123 I 3.4979 7.6765 120.2657 64.2422 37.0268 177.8080 124 L 3.9120 8.5090 121.8242 58.5775 41.8386 178.6924 125 E 3.9142 8.2476 118.7763 59.4646 29.6093 178.7959 126 S 4.1967 7.8504 113.3074 61.2604 62.4460 175.9445 127 E 4.1806 8.4416 121.5240 59.1663 29.1861 179.0037 128 E 4.0865 8.4871 118.9992 59.1558 29.4785 179.0716 129 E 4.0650 8.2413 119.0301 59.3108 29.3715 178.7881 130 H 4.3353 8.1819 118.2640 59.3269 29.9071 177.0939 131 I 3.6847 7.9262 121.7343 64.6184 37.0098 177.5549 132 D 4.3544 8.2523 118.5432 57.6226 40.9687 177.7098 133 Y 4.0924 8.0875 119.6548 60.7746 38.8633 177.7955 134 L 3.6731 8.1793 119.9042 58.1330 41.8248 179.5884 135 E 3.9479 8.4215 118.3458 59.6357 29.2732 179.7676 136 T 3.8293 7.7802 115.8749 66.4872 68.4405 176.6894 137 Q 3.7633 7.7898 119.9314 58.9333 28.5986 178.7895 138 L 3.8517 7.7350 119.9015 57.8225 41.7446 179.8433 139 G 3.6093 8.0454 105.3753 47.7788 0.0000 175.7263 140 L 3.9379 7.8452 121.4354 57.5283 41.6956 179.2944 141 I 3.4839 7.2343 119.9331 64.8471 36.8242 178.2577 142 Q 3.9821 7.4767 116.8421 58.8666 28.5515 178.7416 143 K 4.1734 7.7253 118.4041 58.3714 32.3924 178.7876 144 V 4.2370 8.3849 110.5010 59.8859 33.3870 177.1075 145 G 4.0321 7.7329 105.3713 45.5062 0.0000 174.1271 146 L 3.9694 8.6321 122.3680 58.3144 41.8831 179.5556 147 E 4.0228 8.1059 117.6937 59.3383 29.6535 178.6351 148 N 4.3027 8.1637 116.0825 56.6252 38.4226 176.6633 149 Y 4.0582 7.9358 119.7494 60.6316 39.1116 177.6297 150 L 4.0341 8.1278 120.1286 57.6404 41.3240 179.0865 151 Q 3.9083 8.2515 119.8093 59.1694 28.7617 177.8623 152 S 4.4659 7.6849 113.0289 59.4977 62.9698 174.1228 153 H 4.6920 7.8840 118.8822 55.6462 30.0681 175.5943 154 M 4.1470 7.8515 121.4819 57.8758 31.9961 176.3777 155 H 5.2448 7.7045 113.0148 54.0552 31.6387 174.2460 156 E 4.2224 8.5467 119.1695 56.6882 29.5212 176.3790 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 3 G 8.35 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 4 D 8.57 4.13 0.00 2.85 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 5 K 9.48 3.96 0.00 1.85 1.77 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.51 7.81 6 K 7.99 4.19 0.00 2.12 1.69 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.42 7.81 7 V 7.98 3.69 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 1.22 0.00 0.00 0.95 0.00 0.00 8 I 7.54 3.71 2.02 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 1.52 0.63 0.90 0.00 0.00 9 Q 7.72 3.94 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 10 H 8.39 4.12 0.00 3.34 3.34 0.00 5.62 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 11 L 8.29 3.99 0.00 1.83 1.73 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.57 4.44 0.00 2.86 2.86 0.00 0.00 6.74 7.35 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 13 K 8.16 3.96 0.00 1.90 1.98 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.98 3.67 2.01 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 1.78 0.85 0.92 0.00 0.00 15 L 8.55 4.01 0.00 1.71 1.95 0.92 1.20 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 16 G 8.15 3.79 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 0.00 0.00 0.00 17 N 8.02 4.38 0.00 2.96 2.88 0.00 0.00 7.06 7.11 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 18 E 8.51 3.96 0.00 2.12 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 2.36 2.55 0.00 19 L 8.03 4.03 0.00 1.84 1.68 0.90 0.59 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 20 I 7.64 3.78 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.19 0.87 0.00 0.00 21 A 7.76 3.35 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 0.00 0.00 0.00 0.00 0.00 22 I 7.94 3.62 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 0.87 0.00 0.00 23 N 7.78 4.34 0.00 2.82 2.83 0.00 0.00 6.76 7.86 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 24 Q 7.74 3.84 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.22 0.00 25 Y 7.89 4.61 0.00 3.12 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 26 F 8.54 4.03 0.00 3.30 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 27 L 8.32 4.01 0.00 1.84 1.78 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.35 3.78 0.00 3.48 3.02 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.50 4.31 0.00 3.94 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 0.00 30 R 7.97 3.90 0.00 1.88 1.89 0.00 2.99 0.00 0.00 2.74 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 31 M 8.10 3.47 0.00 0.76 1.53 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.18 0.00 32 W 7.68 4.65 0.00 3.74 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 33 N 8.25 4.42 0.00 2.89 2.84 0.00 0.00 6.62 7.39 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 34 D 8.03 4.37 0.00 2.60 2.67 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 35 W 8.11 4.79 0.00 3.71 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 36 G 8.11 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 0.00 0.00 0.00 37 L 8.05 4.57 0.00 2.07 1.61 1.26 0.64 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 38 K 8.44 4.19 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.72 3.99 0.00 1.96 1.91 0.00 3.10 0.00 0.00 2.83 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 40 L 7.66 3.80 0.00 1.11 0.13 0.37 0.25 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 41 G 8.05 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 42 A 7.99 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 43 H 8.17 4.00 0.00 3.23 3.37 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.91 4.03 0.00 2.53 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 0.00 2.82 2.70 0.00 45 Y 8.36 4.03 0.00 3.03 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 46 H 8.10 4.07 0.00 3.31 3.23 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 47 E 7.78 3.94 0.00 1.92 1.59 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 2.22 2.22 0.00 48 S 8.24 4.35 0.00 4.12 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 49 I 7.47 3.64 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.33 0.82 0.00 0.00 50 D 8.21 4.28 0.00 2.81 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 51 E 8.21 4.18 0.00 2.09 2.13 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 2.66 2.81 0.00 52 M 7.79 4.06 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.55 0.00 53 K 8.08 4.00 0.00 1.88 1.84 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.58 7.81 54 H 8.20 4.27 0.00 3.41 3.34 0.00 5.64 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 55 A 7.99 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 56 D 8.14 4.23 0.00 2.85 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 57 K 8.07 3.92 0.00 2.00 1.87 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.67 7.81 58 L 8.05 4.02 0.00 1.91 1.73 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.20 3.71 2.02 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 1.53 1.28 0.92 0.00 0.00 60 E 8.25 4.04 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 2.34 2.74 0.00 61 R 7.94 3.98 0.00 2.10 2.14 0.00 3.38 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 62 I 7.94 3.72 2.04 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 1.54 0.85 0.93 0.00 0.00 63 L 7.94 4.07 0.00 2.09 1.77 0.98 1.03 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 64 F 8.27 4.34 0.00 2.99 3.36 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 65 L 7.95 3.89 0.00 1.76 1.62 0.96 0.85 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 66 E 7.73 3.79 0.00 2.06 2.07 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 2.15 2.12 0.00 67 G 7.51 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 68 L 8.05 4.57 0.00 1.60 1.60 0.91 0.97 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 69 P 0.00 4.39 0.00 2.04 1.99 0.00 3.63 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 2.03 2.09 0.00 70 N 9.24 4.72 0.00 2.57 2.89 0.00 0.00 7.14 7.82 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 71 L 8.11 4.46 0.00 1.63 1.66 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.07 4.08 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 73 D 7.98 4.59 0.00 2.73 2.56 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 74 L 8.24 4.53 0.00 1.49 1.51 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.35 3.79 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 0.00 0.00 0.00 76 K 8.38 4.25 0.00 1.71 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.44 7.81 77 L 8.41 4.10 0.00 1.62 1.55 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.28 4.51 0.00 1.79 1.64 0.94 0.67 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 79 I 7.76 4.01 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.72 0.91 0.00 0.00 80 G 8.67 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 0.00 0.00 0.00 81 E 8.97 4.70 0.00 2.17 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 0.00 2.44 2.24 0.00 82 N 7.67 5.14 0.00 2.93 2.88 0.00 0.00 6.24 7.22 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 83 T 8.56 4.39 4.48 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 1.56 0.00 0.00 84 Q 8.24 4.07 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 85 E 8.63 4.09 0.00 2.35 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 2.35 2.53 0.00 86 M 8.36 4.00 0.00 1.28 2.15 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.00 0.00 87 L 8.21 4.11 0.00 1.93 1.74 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.13 3.97 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 89 C 8.44 4.20 0.00 3.35 3.14 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 90 D 8.26 4.67 0.00 2.99 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 91 L 8.29 3.95 0.00 1.84 1.89 0.94 0.96 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 92 N 8.28 4.28 0.00 2.96 2.90 0.00 0.00 6.74 6.25 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 93 L 8.10 3.99 0.00 1.93 1.99 0.90 0.80 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 94 E 8.59 4.14 0.00 2.20 2.07 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 2.68 2.58 0.00 95 L 8.52 4.02 0.00 1.81 1.74 0.94 0.63 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 96 K 8.26 3.98 0.00 1.90 2.10 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 7.97 4.03 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 98 T 8.05 3.83 4.59 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 1.23 0.00 0.00 99 K 7.73 3.89 0.00 1.80 2.02 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 7.91 4.45 0.00 2.71 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 0.00 101 L 8.12 3.98 0.00 2.01 1.74 0.93 0.80 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 0.00 102 R 7.99 3.92 0.00 2.04 1.99 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 103 E 8.09 3.93 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 2.35 2.35 0.00 104 A 7.91 3.72 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 0.00 105 I 7.67 3.66 2.02 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 1.42 0.89 0.93 0.00 0.00 106 V 7.66 3.57 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 0.80 0.00 0.00 0.98 0.00 0.00 107 H 7.99 4.22 0.00 3.22 3.29 0.00 5.86 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 0.00 108 C 8.16 3.93 0.00 3.13 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 0.00 109 E 8.22 3.89 0.00 2.20 2.16 0.00 0.00 0.00 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 2.43 0.00 110 Q 7.67 3.89 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 111 V 7.38 3.79 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 0.59 0.00 0.00 0.78 0.00 0.00 112 H 7.42 3.12 0.00 3.15 3.14 0.00 5.66 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 0.00 113 D 7.35 4.54 0.00 2.73 2.48 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 0.00 114 Y 7.41 4.30 0.00 3.08 2.92 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 0.00 115 V 7.84 3.65 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.99 0.00 0.00 116 S 8.46 4.21 0.00 4.22 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 0.00 117 R 7.89 3.98 0.00 1.95 2.22 0.00 3.26 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 118 D 8.08 4.27 0.00 3.08 2.76 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 0.00 119 L 7.76 3.91 0.00 1.80 1.80 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.93 4.04 0.00 1.89 1.70 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.30 3.71 0.00 1.75 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 122 D 8.14 4.53 0.00 2.88 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 0.00 123 I 7.68 3.50 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.80 0.00 0.00 124 L 8.51 3.91 0.00 1.78 1.90 0.99 0.35 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 0.00 125 E 8.25 3.91 0.00 2.10 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 0.00 2.33 2.35 0.00 126 S 7.85 4.20 0.00 3.94 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 0.00 127 E 8.44 4.18 0.00 2.18 2.29 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 2.67 2.53 0.00 128 E 8.49 4.09 0.00 2.16 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 2.36 2.38 0.00 129 E 8.24 4.07 0.00 2.26 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 0.00 2.37 2.35 0.00 130 H 8.18 4.34 0.00 3.29 3.49 0.00 5.63 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 0.00 131 I 7.93 3.68 2.08 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 1.44 0.69 0.93 0.00 0.00 132 D 8.25 4.35 0.00 2.86 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 0.00 133 Y 8.09 4.09 0.00 3.14 3.19 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 0.00 134 L 8.18 3.67 0.00 2.01 1.66 1.00 1.09 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 0.00 135 E 8.42 3.95 0.00 1.96 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 2.31 2.56 0.00 136 T 7.78 3.83 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 0.00 137 Q 7.79 3.76 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 1.39 1.92 0.00 138 L 7.73 3.85 0.00 1.77 1.63 0.82 0.69 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 0.00 139 G 8.05 3.61 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 0.00 0.00 0.00 140 L 7.85 3.94 0.00 1.77 1.83 1.02 0.72 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 0.00 141 I 7.23 3.48 1.78 0.00 0.00 0.52 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 -0.36 0.79 0.00 0.00 142 Q 7.48 3.98 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 143 K 7.73 4.17 0.00 1.85 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.73 7.81 144 V 8.38 4.24 2.12 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 0.79 0.00 0.00 1.07 0.00 0.00 145 G 7.73 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 0.00 146 L 8.63 3.97 0.00 1.76 1.70 0.96 0.94 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 0.00 147 E 8.11 4.02 0.00 2.06 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 2.40 2.40 0.00 148 N 8.16 4.30 0.00 3.06 2.91 0.00 0.00 6.76 7.48 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 0.00 149 Y 7.94 4.06 0.00 2.97 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 0.00 150 L 8.13 4.03 0.00 1.77 1.71 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.25 3.91 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 152 S 7.68 4.47 0.00 3.87 3.69 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 0.00 153 H 7.88 4.69 0.00 3.01 3.01 0.00 5.81 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 0.00 154 M 7.85 4.15 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.47 0.00 155 H 7.70 5.24 0.00 3.07 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.55 4.22 0.00 1.94 1.83 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 2.23 2.28 0.00