NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4484 8.3349 115.4127 57.5071 64.3667 173.5508 2 K 3.9022 8.6047 123.1641 56.2962 32.4729 174.9583 3 T 4.2874 8.4293 115.2995 62.6425 70.4901 174.0914 4 N 4.5057 7.9783 120.0345 52.5139 39.5480 173.2943 5 P 4.2811 0.0000 0.0000 65.8872 31.4633 178.8089 6 R 4.0064 8.3853 116.8714 58.8667 30.0172 178.7363 7 L 3.9869 8.0150 119.8815 58.1391 42.1710 179.0311 8 S 4.1556 8.0168 114.9700 61.5968 62.7335 176.8758 9 S 4.0941 7.9087 117.5938 61.3551 62.5210 176.2314 10 L 3.8813 7.9601 123.0384 58.4564 41.8110 179.2034 11 I 3.6988 7.8268 119.2713 64.3411 37.0272 178.3523 12 A 4.0366 8.0144 121.6591 55.1971 18.1921 179.4873 13 D 4.2881 8.5845 117.9656 57.3507 40.8828 178.9022 14 L 3.9172 8.2453 119.9868 57.6061 41.6030 179.8171 15 K 3.9974 8.1639 118.4243 59.5583 32.0061 179.2495 16 S 4.1060 8.1995 113.1910 61.3868 62.2180 176.1920 17 A 3.9988 8.1767 123.1381 55.1910 17.9634 179.5005 18 A 4.2232 7.9886 118.1573 55.2317 18.4676 179.8474 19 R 4.0987 7.9052 115.8177 59.3331 30.4306 179.1312 20 S 4.2964 8.0489 113.5880 61.1684 63.4815 175.3213 21 S 4.5807 8.0791 116.9838 57.3657 64.0382 175.0952 22 G 4.0272 8.5747 107.1446 46.1573 0.0000 174.3171 23 G 3.7129 7.6951 108.3362 44.7737 0.0000 173.9673 24 A 4.5713 7.9536 120.2381 51.6311 22.1114 179.2332 25 V 3.4831 7.5008 109.1992 64.2561 31.4752 178.4282 26 W 4.8177 7.6268 118.3565 60.1045 29.0906 178.7238 27 G 3.6398 8.2083 105.0034 47.4902 0.0000 175.2620 28 D 4.3056 7.9566 120.1952 57.3644 41.2658 178.4819 29 V 3.6391 8.6850 119.5204 65.7987 31.4725 177.8552 30 A 3.9897 8.4208 120.9056 55.3102 18.0675 179.4332 31 E 4.1119 7.8564 115.4830 59.6328 29.8875 179.3605 32 R 4.0504 7.9450 118.3555 59.3095 29.9589 178.5081 33 L 3.8776 7.9724 117.8202 57.2323 41.6514 178.8307 34 E 4.1921 7.9231 117.8892 57.7261 29.6096 177.3869 35 K 4.2930 7.1325 117.5866 55.0218 33.0285 174.9466 36 P 4.3672 0.0000 0.0000 62.6679 32.0562 177.8766 37 R 3.5032 8.7097 120.6944 59.3927 30.1209 179.3089 38 R 4.0035 7.8767 112.9293 58.7723 29.5698 177.5968 39 T 4.1814 7.7667 107.8998 63.3025 69.4295 175.0871 40 H 4.2832 7.7301 119.3019 55.5718 29.4826 174.8909 41 A 4.1593 8.1968 124.3773 52.3287 19.5120 176.7327 42 E 4.9402 8.7624 120.5730 54.4142 31.7256 174.2703 43 V 4.4149 8.7147 124.4473 60.9205 34.1079 174.9127 44 N 5.3479 8.5315 123.9404 51.4285 40.1544 176.0801 45 L 4.1667 8.2878 120.1886 57.8809 41.3779 180.2175 46 G 3.6464 8.1037 105.5047 47.8847 0.0000 175.5187 47 R 3.9204 7.8887 120.7147 58.8141 30.0665 178.7794 48 I 3.7860 7.5522 119.5573 64.3109 37.0704 177.6568 49 E 3.9224 8.0217 118.9278 59.2628 29.4438 178.5453 50 R 3.8529 7.4703 118.1647 58.3395 30.2108 176.4333 51 Y 4.7594 7.3498 112.5215 57.5311 39.1152 175.4766 52 A 4.6364 7.9366 123.4907 51.1733 20.2389 176.5710 53 Q 4.6390 8.0393 115.8958 54.2244 30.2837 174.8776 54 E 4.0591 8.6393 118.9071 57.7823 30.0702 176.6134 55 D 4.5262 8.7696 118.8037 55.0075 38.3540 173.9386 56 E 4.6318 7.6409 119.6751 54.9479 32.0827 174.7431 57 T 4.2245 8.4527 125.5862 63.7587 69.8764 174.0031 58 V 4.3334 8.8213 127.2470 62.5084 33.1643 174.6864 59 V 4.8328 9.1346 128.3040 61.2222 33.6596 174.2244 60 V 4.8981 9.0691 129.3605 58.9396 32.9593 174.7922 61 P 4.6729 0.0000 0.0000 61.7614 31.9787 174.8293 62 G 4.2657 6.5305 115.5683 47.5168 0.0000 175.2038 63 K 5.0399 9.3978 127.2103 54.2092 35.7629 173.9122 64 V 4.6529 8.1577 126.1902 61.5466 33.3063 174.7737 65 L 5.0174 9.3156 128.1486 52.7690 44.8604 177.0423 66 G 4.0700 8.6249 106.4080 47.0643 0.0000 174.1153 67 S 4.3372 8.1688 118.0933 59.5226 64.2178 175.4643 68 G 4.0447 9.0189 110.1827 44.4384 0.0000 172.0215 69 V 4.3093 7.9554 116.9725 60.6949 33.9108 174.7269 70 L 4.7844 8.5733 128.5117 53.5512 43.5047 175.3099 71 Q 4.4840 9.3713 125.2928 56.8130 30.6329 176.9257 72 K 4.0718 8.1335 115.8758 56.8316 32.5548 176.8446 73 D 5.0936 8.4368 122.8318 52.3647 39.8199 174.9036 74 V 4.5086 7.6526 114.7913 59.2848 36.1961 174.8259 75 T 4.7633 8.4007 119.9128 62.6951 70.1366 173.6973 76 V 4.8384 9.0328 127.5424 61.1313 33.8843 174.1196 77 A 5.9400 9.5838 129.5077 49.5774 21.7870 174.9760 78 A 4.9078 8.3348 122.2007 50.4369 22.7562 177.1481 79 V 3.5812 8.1981 119.3652 66.1505 32.0959 175.7742 80 D 4.7986 7.4692 117.0490 53.2374 44.5022 174.0013 81 F 5.4247 8.7760 121.2274 55.4414 42.7159 175.1859 82 S 4.3977 8.9992 116.8140 57.8701 64.2164 175.4730 83 G 3.7053 8.9082 107.3007 48.5029 0.0000 176.0908 84 T 3.9109 7.9096 117.4541 66.0686 68.5100 176.3909 85 A 4.0272 7.9612 122.6478 55.4273 18.5044 179.2175 86 E 3.6981 8.1948 117.5428 59.6363 29.3209 179.3031 87 T 3.8270 7.6651 115.7535 66.6468 68.4976 176.8760 88 K 4.1522 8.2609 120.5621 59.4895 32.0464 179.5478 89 I 3.6909 8.1474 120.3756 64.6341 36.9091 178.3131 90 D 4.7004 7.8830 117.8495 57.0604 40.5526 178.8138 91 Q 4.0886 7.5581 118.0943 58.9299 29.0194 177.9223 92 V 4.2076 7.5122 111.7001 62.5369 33.5640 175.5659 93 G 4.3062 8.1368 108.7957 44.4733 0.0000 175.5800 94 E 4.9087 9.4642 126.9454 54.7197 33.2728 172.0776 95 A 4.8975 8.9065 129.6704 50.5797 20.3176 176.4448 96 V 4.5916 9.0986 122.4317 60.8555 35.7159 175.1507 97 S 5.0619 8.5940 119.7808 57.5310 64.2710 175.0261 98 L 3.9767 8.3837 123.6246 58.2380 41.4934 179.4505 99 E 3.9020 7.8033 117.5022 59.2130 29.2890 179.1446 100 Q 4.0265 8.0463 118.0836 58.7740 28.8320 178.3130 101 A 4.0159 7.9130 121.3314 55.3807 18.2052 179.6243 102 I 2.9996 6.9456 116.8045 63.9085 37.0562 177.8959 103 E 4.0833 7.3590 118.2786 58.9336 29.6519 177.9030 104 N 4.6513 8.2905 115.2312 54.5789 40.3124 175.2667 105 N 5.1679 8.3429 119.0829 51.5525 39.3959 173.2833 106 P 4.7776 0.0000 0.0000 65.7538 31.6975 178.0573 107 E 4.1234 8.5175 117.7494 56.6678 30.0101 176.4900 108 G 3.2113 8.3997 107.6415 46.1750 0.0000 173.7318 109 S 4.4467 8.2337 111.5760 57.6841 65.4937 173.5238 110 H 4.0131 8.3934 116.2441 56.3113 25.5121 173.7112 111 V 4.7601 7.1207 117.1055 60.1387 35.0750 175.1492 112 R 4.5553 9.1375 123.3259 54.4007 32.9087 174.4526 113 V 4.3558 8.4686 126.8407 62.9255 32.0671 175.0767 114 I 4.8212 9.0902 128.6228 59.4300 41.0587 175.9680 115 R 4.1746 8.4046 121.6224 56.5173 29.3825 174.7368 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 4.45 0.00 3.99 3.94 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 0.00 0.00 0.00 0.00 2 K 8.60 3.90 0.00 1.85 1.80 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.46 1.45 7.81 3 T 8.43 4.29 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 4 N 7.98 4.51 0.00 2.80 2.70 0.00 0.00 7.23 7.71 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 5 P 0.00 4.28 0.00 2.19 2.09 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 R 8.39 4.01 0.00 1.96 1.96 0.00 3.13 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 8.01 3.99 0.00 1.76 1.83 0.94 1.03 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 8 S 8.02 4.16 0.00 4.11 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 9 S 7.91 4.09 0.00 3.97 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 10 L 7.96 3.88 0.00 1.89 1.86 0.90 0.95 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 11 I 7.83 3.70 2.00 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 1.46 0.96 0.92 0.00 0.00 12 A 8.01 4.04 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 13 D 8.58 4.29 0.00 2.71 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 14 L 8.25 3.92 0.00 1.85 1.97 0.94 0.51 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 15 K 8.16 4.00 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 16 S 8.20 4.11 0.00 4.01 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 17 A 8.18 4.00 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 18 A 7.99 4.22 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.10 0.00 1.84 2.01 0.00 3.18 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 1.68 1.82 0.00 20 S 8.05 4.30 0.00 3.92 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 21 S 8.08 4.58 0.00 4.30 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 22 G 8.57 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 G 7.70 3.71 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 0.00 0.00 0.00 24 A 7.95 4.57 1.17 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 0.00 0.00 25 V 7.50 3.48 1.61 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 0.65 0.00 0.00 -0.21 0.00 0.00 26 W 7.63 4.82 0.00 3.38 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 27 G 8.21 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.96 4.31 0.00 3.03 2.80 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 29 V 8.68 3.64 2.42 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 1.10 0.00 0.00 1.11 0.00 0.00 30 A 8.42 3.99 1.43 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 31 E 7.86 4.11 0.00 2.16 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 2.36 2.51 0.00 32 R 7.94 4.05 0.00 1.95 2.05 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 33 L 7.97 3.88 0.00 1.76 1.70 0.90 0.78 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 34 E 7.92 4.19 0.00 2.17 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 2.54 0.00 35 K 7.13 4.29 0.00 2.07 1.79 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.63 7.81 36 P 0.00 4.37 0.00 2.16 1.96 0.00 3.63 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 2.11 2.11 0.00 37 R 8.71 3.50 0.00 1.79 1.92 0.00 3.10 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 38 R 7.88 4.00 0.00 1.91 2.05 0.00 3.02 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.77 4.18 4.26 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 1.22 0.00 0.00 40 H 7.73 4.28 0.00 3.29 3.26 0.00 5.68 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 41 A 8.20 4.16 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 42 E 8.76 4.94 0.00 1.81 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 2.20 2.27 0.00 43 V 8.71 4.41 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 1.01 0.00 0.00 0.98 0.00 0.00 44 N 8.53 5.35 0.00 2.80 2.93 0.00 0.00 7.62 6.74 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 45 L 8.29 4.17 0.00 1.80 1.74 0.95 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.10 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.89 3.92 0.00 1.89 1.99 0.00 3.22 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 48 I 7.55 3.79 2.04 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 1.58 0.68 0.96 0.00 0.00 49 E 8.02 3.92 0.00 1.99 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 2.39 2.31 0.00 50 R 7.47 3.85 0.00 1.56 1.31 0.00 2.45 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.30 0.00 51 Y 7.35 4.76 0.00 2.97 2.87 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 0.00 0.00 0.00 52 A 7.94 4.64 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.04 4.64 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 54 E 8.64 4.06 0.00 2.06 1.92 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 2.55 2.34 0.00 55 D 8.77 4.53 0.00 2.82 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 56 E 7.64 4.63 0.00 1.98 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 2.24 2.31 0.00 57 T 8.45 4.22 4.33 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 1.36 0.00 0.00 58 V 8.82 4.33 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 0.90 0.00 0.00 0.99 0.00 0.00 59 V 9.13 4.83 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 1.06 0.00 0.00 1.11 0.00 0.00 60 V 9.07 4.90 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 0.96 0.00 0.00 0.93 0.00 0.00 61 P 0.00 4.67 0.00 2.23 2.23 0.00 3.97 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 62 G 6.53 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 63 K 9.40 5.04 0.00 1.70 1.56 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.37 7.81 64 V 8.16 4.65 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 1.05 0.00 0.00 0.72 0.00 0.00 65 L 9.32 5.02 0.00 1.72 1.54 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 66 G 8.62 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 67 S 8.17 4.34 0.00 4.02 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 68 G 9.02 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 0.00 0.00 0.00 69 V 7.96 4.31 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.57 4.78 0.00 1.61 1.54 1.00 0.77 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 71 Q 9.37 4.48 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.13 4.07 0.00 1.75 1.76 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.75 7.81 73 D 8.44 5.09 0.00 2.80 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 74 V 7.65 4.51 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 0.94 0.00 0.00 0.96 0.00 0.00 75 T 8.40 4.76 4.29 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 1.27 0.00 0.00 76 V 9.03 4.84 2.32 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 1.01 0.00 0.00 1.03 0.00 0.00 77 A 9.58 5.94 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 78 A 8.33 4.91 0.54 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 0.00 0.00 79 V 8.20 3.58 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 0.72 0.00 0.00 0.89 0.00 0.00 80 D 7.47 4.80 0.00 2.80 2.39 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 81 F 8.78 5.42 0.00 2.87 2.94 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 0.00 0.00 0.00 0.00 82 S 9.00 4.40 0.00 3.95 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 83 G 8.91 3.71 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 0.00 0.00 0.00 84 T 7.91 3.91 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 1.23 0.00 0.00 85 A 7.96 4.03 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 0.00 0.00 0.00 0.00 0.00 86 E 8.19 3.70 0.00 2.02 1.92 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 2.14 1.93 0.00 87 T 7.67 3.83 4.40 0.00 0.00 0.00 0.00 0.00 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 88 K 8.26 4.15 0.00 1.93 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 89 I 8.15 3.69 1.87 0.00 0.00 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 1.58 0.88 0.92 0.00 0.00 90 D 7.88 4.70 0.00 2.67 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 91 Q 7.56 4.09 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 92 V 7.51 4.21 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 0.89 0.00 0.00 0.97 0.00 0.00 93 G 8.14 4.31 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 0.00 94 E 9.46 4.91 0.00 2.04 1.75 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 2.17 2.23 0.00 95 A 8.91 4.90 0.54 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 0.00 0.00 96 V 9.10 4.59 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 1.10 0.00 0.00 0.93 0.00 0.00 97 S 8.59 5.06 0.00 4.22 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 98 L 8.38 3.98 0.00 1.92 1.63 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.80 3.90 0.00 2.10 1.91 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 2.28 2.32 0.00 100 Q 8.05 4.03 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.91 4.02 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 I 6.95 3.00 1.69 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 -0.14 0.62 0.00 0.00 103 E 7.36 4.08 0.00 1.95 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 0.00 2.30 2.32 0.00 104 N 8.29 4.65 0.00 2.77 2.90 0.00 0.00 6.75 8.57 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 0.00 105 N 8.34 5.17 0.00 2.90 3.07 0.00 0.00 6.76 7.18 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 0.00 106 P 0.00 4.78 0.00 2.31 2.33 0.00 3.90 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 107 E 8.52 4.12 0.00 2.15 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 2.43 2.40 0.00 108 G 8.40 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 0.00 0.00 0.00 109 S 8.23 4.45 0.00 3.93 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 0.00 110 H 8.39 4.01 0.00 3.32 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.12 4.76 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 0.40 0.00 0.00 0.97 0.00 0.00 112 R 9.14 4.56 0.00 1.92 1.79 0.00 3.22 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 113 V 8.47 4.36 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 0.82 0.00 0.00 0.89 0.00 0.00 114 I 9.09 4.82 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.99 0.00 0.00 115 R 8.40 4.17 0.00 1.85 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00