NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8274 8.3544 109.7210 44.8284 0.0000 174.0326 4 D 4.1548 8.5114 122.7253 53.3810 42.4401 175.6395 5 K 3.9200 9.5356 128.8218 59.6747 32.6181 178.5082 6 K 4.1534 8.1621 118.2369 58.9861 32.1596 178.9848 7 V 3.6902 8.3246 118.7866 66.5342 31.2460 178.2833 8 I 3.8462 7.7296 118.8271 64.3501 36.9215 178.4164 9 Q 3.9647 8.0128 119.0201 59.1759 28.5149 178.6726 10 H 4.1288 8.5501 117.4339 58.8382 28.8039 177.4483 11 L 3.9661 8.3278 121.2365 58.4169 41.5692 179.6843 12 N 4.4323 8.4693 116.0735 55.9411 38.4855 177.5883 13 K 3.9332 8.0985 121.2360 59.5533 32.3927 178.8798 14 I 3.7123 8.2138 120.5393 64.4370 37.0111 178.1331 15 L 4.0913 8.6950 121.5417 58.1115 41.9484 179.3251 16 G 3.6124 8.2042 105.7813 47.7043 0.0000 175.5141 17 N 4.3694 8.0191 118.5145 56.1809 38.5029 177.2588 18 E 3.9776 8.2631 119.9719 59.5319 29.0289 179.5152 19 L 4.0483 7.9736 118.9376 57.5441 41.6137 179.6986 20 I 3.6505 7.6175 119.2856 64.1966 37.0513 178.2172 21 A 3.2791 7.8068 121.5421 54.8609 18.1379 179.3924 22 I 3.6199 7.8712 118.7025 64.9968 37.1838 178.4267 23 N 4.4014 7.7256 115.8772 56.0712 38.3701 177.4230 24 Q 3.8209 8.0127 120.9352 59.5026 29.2094 177.8333 25 Y 4.9514 8.0678 119.4837 60.6656 37.9036 178.6622 26 F 4.0148 8.4169 121.5435 61.1616 39.4552 177.0538 27 L 4.0099 8.3430 120.2362 58.4105 41.8277 178.4317 28 H 3.7944 8.5631 116.6386 58.7926 28.5408 177.3099 29 S 4.3270 8.4772 115.2256 61.9851 62.0827 176.7123 30 R 3.8620 7.8183 120.1107 58.9897 29.7647 179.0153 31 M 3.5021 7.9531 119.0553 57.8285 31.7602 178.6440 32 W 4.4640 7.9585 119.4110 59.8989 29.1925 178.2514 33 N 4.3471 8.4443 116.5218 56.5094 37.8005 176.8896 34 D 4.3388 8.0411 118.3352 56.9405 41.3428 177.5480 35 W 4.8819 7.8128 116.7704 56.6092 29.5803 177.0377 36 G 3.9760 8.3247 108.0014 46.1659 0.0000 174.3209 37 L 4.8385 8.0161 121.9922 53.2527 40.3615 177.5902 38 K 4.0589 8.4350 121.7388 59.1007 32.4088 179.0398 39 R 3.9685 7.9694 119.2670 59.0833 29.8786 178.5915 40 L 3.7621 7.7305 118.5333 57.5591 41.6303 179.2289 41 G 3.8925 8.2286 105.4917 48.0222 0.0000 175.3828 42 A 4.0451 8.5787 123.6920 55.0742 18.4106 179.2394 43 H 3.9477 8.2408 116.7568 59.4298 29.8442 177.1804 44 E 3.9981 8.5775 121.3125 59.2244 29.4549 178.0896 45 Y 4.0060 8.1511 119.8412 61.0698 38.8326 177.8818 46 H 3.9917 8.0863 116.8566 58.4549 28.7746 177.7334 47 E 3.8082 7.9132 120.8267 59.2207 29.1487 179.1500 48 S 4.2702 8.1687 113.1702 61.5302 62.5082 176.1169 49 I 3.5616 7.5377 122.4100 64.6912 36.8707 178.1847 50 D 4.2974 7.9944 119.4639 57.3156 40.5045 178.6914 51 E 4.2124 8.1626 119.0039 59.3240 29.5240 179.1411 52 M 4.0374 8.1740 119.2954 58.3757 32.0094 178.9212 53 K 4.0403 8.0953 118.5979 59.4816 32.1285 179.2973 54 H 4.2901 7.9324 116.0666 58.8838 28.6346 177.6874 55 A 4.0429 8.2956 122.7723 54.9422 18.1607 179.1639 56 D 4.2479 8.0397 116.4891 57.6458 41.3640 178.7164 57 K 4.0138 8.1044 118.8771 59.3776 31.9274 179.4538 58 L 4.0215 7.9121 119.3677 57.7852 41.5918 179.3867 59 I 3.7263 7.9301 119.8514 64.5449 37.0634 178.3903 60 E 4.0003 8.1685 119.2212 59.2789 29.3170 179.3768 61 R 3.9917 8.0561 118.7380 59.4724 30.1173 178.3853 62 I 3.7251 8.1300 119.9787 64.6169 37.1646 178.2379 63 L 3.9803 8.0438 119.5145 58.0120 41.2648 179.5527 64 F 4.3352 8.2008 119.2461 60.8038 39.3917 176.2193 65 L 3.9657 7.7190 116.0157 54.1146 41.6457 176.6232 66 E 3.6954 7.8289 117.6646 57.2062 27.0392 174.7491 67 G 3.8975 7.9982 108.5751 44.3642 0.0000 173.6754 68 L 4.5732 7.9926 118.8835 51.9127 42.6307 175.2648 69 P 4.3190 0.0000 0.0000 62.6151 31.7367 175.8679 70 N 4.6357 9.5805 122.6167 52.6330 38.2727 174.1615 71 L 4.5898 8.2930 124.2947 54.5317 42.3566 177.4298 72 Q 4.1226 8.6212 121.9682 57.4822 29.3984 175.5096 73 D 4.7402 8.1069 117.6596 52.3606 42.0249 175.2088 74 L 4.5723 8.3271 125.8717 52.8256 44.0854 176.6219 75 G 3.8114 8.3909 115.8958 44.6935 0.0000 171.4144 76 K 4.1590 8.3350 120.8879 55.4263 32.5139 176.8497 77 L 4.0647 8.3789 126.9901 54.4203 42.2047 176.7388 78 L 4.3536 8.5041 124.4872 53.6511 41.0031 175.9995 79 I 4.3739 8.1601 125.0771 59.2425 38.6535 176.5119 80 G 3.9996 8.7843 114.7883 44.9483 0.0000 172.7480 81 E 4.7087 9.0840 116.5413 55.8342 30.3054 175.5152 82 N 4.9646 7.6621 116.8504 51.1885 41.4226 175.1437 83 T 4.3854 8.6202 116.8818 67.1242 68.5690 176.5296 84 Q 3.9799 8.2178 120.8089 59.2371 29.1554 178.0199 85 E 4.0078 9.1311 119.9568 59.6677 29.4592 179.1144 86 M 3.9286 8.5658 119.0664 58.4780 31.9394 178.8740 87 L 4.1668 8.3530 119.1011 57.9205 41.8014 179.3917 88 Q 3.9865 8.3130 119.5226 59.3588 29.0054 178.0571 89 C 4.2256 8.7702 118.1633 63.0256 28.2446 175.8590 90 D 4.7072 8.5965 120.7029 57.2083 40.3675 178.6644 91 L 3.9806 8.1783 121.0963 58.1849 42.2791 178.7154 92 N 4.3351 8.8202 116.7912 56.3037 38.5099 176.9969 93 L 4.0062 8.0669 121.6332 58.4583 42.1856 178.9700 94 E 4.1368 8.2648 118.1851 59.0233 29.3344 179.3377 95 L 3.9949 8.0200 119.4407 57.4925 41.7024 179.1666 96 K 3.8603 7.9674 118.9724 59.6859 32.1821 178.5083 97 A 4.0299 8.1458 120.8368 55.6039 18.3043 179.7802 98 T 3.9390 7.9524 114.0957 66.3320 68.4857 176.9387 99 K 3.8815 8.2156 121.7140 59.9286 32.2163 178.5951 100 D 4.4126 8.3166 118.8921 57.0674 40.6406 178.8093 101 L 3.9981 8.0370 119.6952 57.8602 41.6537 179.5772 102 R 3.9349 7.8661 117.6826 59.4242 30.0948 178.9619 103 E 3.9459 8.0117 118.0485 59.4350 29.4956 179.3412 104 A 3.6886 8.1213 120.7343 54.9732 18.3073 179.8421 105 I 3.6465 7.8444 118.4776 64.3742 37.2116 178.3571 106 V 3.5653 7.8225 119.2202 66.6539 31.2652 177.5016 107 H 4.1275 8.0618 117.2562 59.5038 29.7011 176.9840 108 C 4.0075 8.1161 118.4659 62.6560 27.9311 175.5551 109 E 3.9502 8.3432 121.0806 59.5547 28.9951 178.7864 110 Q 4.0379 7.8742 118.1658 58.4103 29.1201 177.2737 111 V 3.9042 7.2254 111.2915 60.4326 31.7847 175.4679 112 H 3.0331 7.3867 114.0904 56.9576 26.8785 176.2297 113 D 4.4950 7.3589 120.2047 53.5156 38.5202 175.3776 114 Y 4.3529 7.4413 121.2553 59.9800 38.4431 177.4503 115 V 3.6819 7.8156 119.4110 65.9986 31.7570 178.0042 116 S 4.1544 8.4720 114.9894 61.4909 62.6622 176.6037 117 R 3.8811 7.9613 121.3166 59.4042 29.8746 177.8349 118 D 4.3463 8.1390 117.8056 57.3514 41.1921 177.8038 119 L 3.9452 7.8595 120.5835 58.5594 41.9909 179.1265 120 L 4.0391 8.0912 118.5831 57.4978 41.4459 179.5360 121 K 3.9524 8.2420 119.8192 59.5025 32.2046 178.4807 122 D 4.3863 8.1844 119.1992 57.6826 40.7419 179.0556 123 I 3.5739 7.7396 120.1493 64.0747 36.9574 178.2949 124 L 3.9551 8.1863 121.7198 58.0445 41.9404 178.5992 125 E 3.9387 8.3855 119.4392 59.3673 29.5560 178.7887 126 S 4.1680 8.0927 113.1140 61.4022 62.3647 176.0287 127 E 4.1116 8.4629 121.4789 59.4389 29.1386 179.1026 128 E 4.0065 8.6594 119.0754 59.3571 29.4473 179.2845 129 E 4.0168 8.3539 118.8069 59.6154 29.4777 178.7569 130 H 4.3380 8.3463 118.2924 59.4497 29.8515 177.3644 131 I 3.7102 8.0751 121.8301 64.2597 36.8480 177.5820 132 D 4.3675 8.4603 119.3539 57.7086 40.9349 177.8844 133 Y 4.0313 8.2040 119.5649 60.7541 38.8229 178.0219 134 L 3.7908 8.3997 120.1744 57.9938 41.7802 179.5353 135 E 3.9673 8.4985 118.7277 59.4101 29.2724 179.4860 136 T 3.8016 8.0384 116.1379 66.7271 68.4643 176.6800 137 Q 3.7758 7.7555 119.9131 58.8471 28.5583 178.7847 138 L 3.8846 7.7467 120.1731 57.6139 41.5988 179.7615 139 G 3.5763 8.0789 105.6812 47.7881 0.0000 175.7714 140 L 4.0360 7.9376 121.3320 57.4247 41.6327 179.2791 141 I 3.5128 7.6696 120.2800 64.6634 36.7808 178.4589 142 Q 3.9648 7.4807 117.6123 58.8536 28.6163 178.5685 143 K 4.1433 7.9124 118.6107 58.7209 32.2878 178.9568 144 V 4.1972 8.1367 110.1072 59.9261 33.1256 177.0962 145 G 4.0643 7.6954 105.5528 45.7149 0.0000 174.3129 146 L 3.9778 8.5170 122.5403 58.1653 42.1166 179.4657 147 E 4.0060 8.1108 117.9925 59.4431 29.4792 178.9589 148 N 4.3566 8.1020 116.1503 56.3571 38.5023 176.6187 149 Y 3.9683 8.0471 120.1054 60.6835 39.0877 178.0033 150 L 4.0360 8.2237 119.9184 57.6491 41.9014 178.8379 151 Q 3.9010 8.0838 119.5890 59.6071 28.7327 178.6735 152 S 4.3420 7.8737 112.5466 59.8909 63.1863 174.3891 153 H 4.5791 7.7978 118.8416 55.6485 29.4572 176.0340 154 M 4.1702 7.9366 121.0581 57.7449 31.9329 176.0222 155 H 5.0885 7.5410 113.9443 53.6600 30.7864 174.7493 156 E 4.1312 8.7644 121.7896 56.8296 29.2371 176.8711 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 8.51 4.15 0.00 2.85 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 5 K 9.54 3.92 0.00 1.94 1.78 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.11 7.81 6 K 8.16 4.15 0.00 2.02 1.62 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.55 7.81 7 V 8.32 3.69 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 1.05 0.00 0.00 0.94 0.00 0.00 8 I 7.73 3.85 2.03 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 1.53 0.68 0.91 0.00 0.00 9 Q 8.01 3.96 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 10 H 8.55 4.13 0.00 3.35 3.34 0.00 5.65 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 8.33 3.97 0.00 1.80 1.77 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.47 4.43 0.00 2.81 2.86 0.00 0.00 6.75 8.30 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 13 K 8.10 3.93 0.00 1.89 1.96 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.21 3.71 2.00 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 1.67 1.05 0.92 0.00 0.00 15 L 8.70 4.09 0.00 1.71 1.87 0.92 1.15 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 16 G 8.20 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 17 N 8.02 4.37 0.00 2.97 2.88 0.00 0.00 6.98 7.16 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 18 E 8.26 3.98 0.00 2.15 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 2.54 2.53 0.00 19 L 7.97 4.05 0.00 1.80 1.68 0.90 0.86 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 20 I 7.62 3.65 1.98 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 1.41 0.85 0.84 0.00 0.00 21 A 7.81 3.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.87 3.62 1.97 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 0.77 0.88 0.00 0.00 23 N 7.73 4.40 0.00 2.79 2.83 0.00 0.00 6.75 7.96 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 24 Q 8.01 3.82 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 25 Y 8.07 4.95 0.00 3.10 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 26 F 8.42 4.01 0.00 3.32 3.05 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 27 L 8.34 4.01 0.00 1.82 1.69 0.87 1.18 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 28 H 8.56 3.79 0.00 3.46 2.92 0.00 5.71 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 29 S 8.48 4.33 0.00 3.95 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 30 R 7.82 3.86 0.00 1.88 1.88 0.00 2.93 0.00 0.00 2.57 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 31 M 7.95 3.50 0.00 0.89 1.53 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.20 0.00 32 W 7.96 4.46 0.00 3.64 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 33 N 8.44 4.35 0.00 2.85 2.85 0.00 0.00 6.68 8.44 0.00 0.00 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 8.04 4.34 0.00 2.52 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.88 0.00 3.60 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 36 G 8.32 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 0.00 0.00 0.00 37 L 8.02 4.84 0.00 1.98 1.64 1.28 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.44 4.06 0.00 1.77 1.86 0.00 1.67 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 1.50 1.65 7.81 39 R 7.97 3.97 0.00 1.98 1.91 0.00 3.15 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 40 L 7.73 3.76 0.00 1.28 0.13 0.26 0.28 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 41 G 8.23 3.89 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 0.00 0.00 0.00 42 A 8.58 4.05 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 43 H 8.24 3.95 0.00 3.36 3.39 0.00 5.79 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 44 E 8.58 4.00 0.00 2.59 2.21 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 2.75 2.67 0.00 45 Y 8.15 4.01 0.00 2.99 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 46 H 8.09 3.99 0.00 3.32 3.22 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 7.91 3.81 0.00 1.93 1.65 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 2.22 2.04 0.00 48 S 8.17 4.27 0.00 4.11 4.09 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 49 I 7.54 3.56 1.80 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 0.83 0.27 0.82 0.00 0.00 50 D 7.99 4.30 0.00 2.91 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.21 0.00 2.18 2.14 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 2.76 2.65 0.00 52 M 8.17 4.04 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 53 K 8.10 4.04 0.00 1.85 1.81 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.60 7.81 54 H 7.93 4.29 0.00 3.37 3.32 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 8.30 4.04 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 56 D 8.04 4.25 0.00 2.95 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 8.10 4.01 0.00 2.02 1.87 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.65 7.81 58 L 7.91 4.02 0.00 1.87 1.73 0.96 0.87 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 59 I 7.93 3.73 2.03 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 0.91 0.92 0.00 0.00 60 E 8.17 4.00 0.00 2.05 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 2.64 0.00 61 R 8.06 3.99 0.00 2.07 2.13 0.00 3.29 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 62 I 8.13 3.73 2.08 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 0.63 0.95 0.00 0.00 63 L 8.04 3.98 0.00 2.09 1.79 0.93 0.94 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 64 F 8.20 4.34 0.00 2.96 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 65 L 7.72 3.97 0.00 1.82 1.62 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.83 3.70 0.00 2.05 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 2.17 2.16 0.00 67 G 8.00 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 68 L 7.99 4.57 0.00 1.61 1.60 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.32 0.00 2.04 2.00 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.58 4.64 0.00 2.62 2.83 0.00 0.00 7.11 8.27 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 71 L 8.29 4.59 0.00 1.62 1.63 0.91 0.95 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 72 Q 8.62 4.12 0.00 1.95 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.11 4.74 0.00 2.68 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 74 L 8.33 4.57 0.00 1.50 1.50 0.88 1.06 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 75 G 8.39 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 0.00 0.00 0.00 76 K 8.33 4.16 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.51 7.81 77 L 8.38 4.06 0.00 1.63 1.55 0.90 1.00 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 8.50 4.35 0.00 1.81 1.68 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.16 4.37 1.88 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 1.32 0.82 0.91 0.00 0.00 80 G 8.78 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 4.71 0.00 2.14 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 2.52 2.24 0.00 82 N 7.66 4.96 0.00 2.91 2.87 0.00 0.00 6.20 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 8.62 4.39 4.47 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 1.56 0.00 0.00 84 Q 8.22 3.98 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 85 E 9.13 4.01 0.00 2.30 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 2.38 0.00 86 M 8.57 3.93 0.00 1.28 2.19 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.17 0.00 87 L 8.35 4.17 0.00 1.92 1.75 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.31 3.99 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.77 4.23 0.00 3.26 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 90 D 8.60 4.71 0.00 3.09 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 91 L 8.18 3.98 0.00 1.89 1.88 0.93 0.53 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 92 N 8.82 4.34 0.00 2.77 2.88 0.00 0.00 6.69 6.78 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 93 L 8.07 4.01 0.00 1.98 1.96 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.26 4.14 0.00 2.24 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 2.69 2.49 0.00 95 L 8.02 3.99 0.00 1.86 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.97 3.86 0.00 1.92 1.98 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.35 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.15 4.03 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 98 T 7.95 3.94 4.66 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 1.28 0.00 0.00 99 K 8.22 3.88 0.00 1.83 1.97 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.54 7.81 100 D 8.32 4.41 0.00 2.88 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 0.00 101 L 8.04 4.00 0.00 1.94 1.72 0.93 0.78 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 0.00 102 R 7.87 3.93 0.00 2.03 1.99 0.00 3.14 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 1.94 0.00 103 E 8.01 3.95 0.00 2.12 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 2.34 0.00 104 A 8.12 3.69 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 0.00 105 I 7.84 3.65 2.03 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 0.72 0.93 0.00 0.00 106 V 7.82 3.57 2.23 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 1.00 0.00 0.00 1.03 0.00 0.00 107 H 8.06 4.13 0.00 3.26 3.17 0.00 5.84 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 8.12 4.01 0.00 2.99 3.12 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 0.00 109 E 8.34 3.95 0.00 2.19 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 2.38 2.46 0.00 110 Q 7.87 4.04 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 111 V 7.23 3.90 1.94 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 0.62 0.00 0.00 0.81 0.00 0.00 112 H 7.39 3.03 0.00 3.13 3.11 0.00 5.66 0.00 0.00 0.00 0.00 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.36 4.49 0.00 2.61 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 0.00 114 Y 7.44 4.35 0.00 3.09 2.95 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 0.00 115 V 7.82 3.68 2.14 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 1.08 0.00 0.00 0.99 0.00 0.00 116 S 8.47 4.15 0.00 4.14 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 0.00 117 R 7.96 3.88 0.00 1.94 2.18 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 118 D 8.14 4.35 0.00 3.03 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 0.00 119 L 7.86 3.95 0.00 1.78 1.89 0.94 0.76 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 0.00 120 L 8.09 4.04 0.00 1.88 1.71 0.93 0.73 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 0.00 121 K 8.24 3.95 0.00 1.93 1.99 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 122 D 8.18 4.39 0.00 2.92 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 0.00 123 I 7.74 3.57 1.96 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 1.23 0.76 0.76 0.00 0.00 124 L 8.19 3.96 0.00 1.83 1.86 0.94 0.90 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 0.00 125 E 8.39 3.94 0.00 2.09 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 2.33 2.34 0.00 126 S 8.09 4.17 0.00 4.03 4.04 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 0.00 127 E 8.46 4.11 0.00 2.07 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 0.00 2.66 2.53 0.00 128 E 8.66 4.01 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 2.36 2.61 0.00 129 E 8.35 4.02 0.00 2.25 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 2.53 0.00 130 H 8.35 4.34 0.00 3.27 3.53 0.00 5.61 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 8.08 3.71 2.05 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 0.78 0.93 0.00 0.00 132 D 8.46 4.37 0.00 2.88 2.95 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 0.00 133 Y 8.20 4.03 0.00 3.18 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 0.00 134 L 8.40 3.79 0.00 2.01 1.68 1.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.50 3.97 0.00 1.96 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 2.31 2.46 0.00 136 T 8.04 3.80 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 1.16 0.00 0.00 137 Q 7.76 3.78 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 1.46 1.93 0.00 138 L 7.75 3.88 0.00 1.56 1.61 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.08 3.58 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 0.00 0.00 0.00 140 L 7.94 4.04 0.00 1.82 1.86 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.67 3.51 1.82 0.00 0.00 0.50 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 -0.36 0.86 0.00 0.00 142 Q 7.48 3.96 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 143 K 7.91 4.14 0.00 1.74 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.62 7.81 144 V 8.14 4.20 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 0.78 0.00 0.00 1.10 0.00 0.00 145 G 7.70 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 0.00 146 L 8.52 3.98 0.00 1.77 1.69 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.11 4.01 0.00 2.06 1.98 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 2.40 2.40 0.00 148 N 8.10 4.36 0.00 3.09 2.88 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 8.05 3.97 0.00 2.98 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 8.22 4.04 0.00 1.76 1.72 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.08 3.90 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 152 S 7.87 4.34 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 0.00 153 H 7.80 4.58 0.00 3.04 3.05 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.94 4.17 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.45 0.00 155 H 7.54 5.09 0.00 3.09 3.17 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.76 4.13 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00