NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6272 8.3248 118.6021 54.4034 40.3614 174.3101 4 N 4.3886 8.4807 120.2227 53.9913 38.1492 175.5209 5 M 3.9759 7.7546 117.6826 58.4976 33.2645 177.7236 6 S 4.0363 7.9587 113.9741 61.6498 63.1217 176.1544 7 L 3.5941 7.5998 123.6292 57.4586 41.6499 178.6624 8 Q 4.2161 7.7536 117.1797 58.3874 28.7127 177.3782 9 N 4.8547 7.8459 115.4392 51.2185 39.3945 175.0691 10 A 3.6911 7.0256 125.9267 51.3255 18.9965 178.7947 11 E 3.5261 8.4275 121.6406 58.6333 29.9932 178.4096 12 W 4.8226 6.8738 113.6926 55.9184 28.5539 174.4409 13 Y 5.1878 7.3689 122.3773 56.5241 38.6224 175.4934 14 W 4.2406 8.9133 126.9865 55.4715 31.0767 178.3960 15 G 3.3909 6.0302 107.4810 46.2910 0.0000 175.5304 16 D 4.9643 8.5859 123.6430 52.6920 39.9181 175.1884 17 I 4.7320 7.6639 117.5449 57.8464 41.1054 176.0224 18 S 4.5680 8.9285 117.0583 57.4866 65.3680 175.2690 19 R 3.8584 8.5514 121.6074 59.7426 30.0022 178.8474 20 E 4.0775 8.0164 117.5339 59.5635 29.6871 179.1122 21 E 3.9029 7.9325 118.2574 59.2298 28.9406 179.3857 22 V 3.4141 7.8915 118.5029 66.1580 31.3211 177.9156 23 N 4.3168 8.0197 116.1352 56.2195 38.1659 177.0253 24 E 3.9263 7.5195 118.8878 58.7774 29.7708 178.5988 25 K 4.0325 7.4839 117.0074 58.1136 32.2718 178.0938 26 L 4.6080 7.5261 116.9417 52.9549 42.3292 175.8331 27 R 3.7734 7.1674 120.2228 57.8353 30.2813 175.8100 28 D 4.3753 8.6483 126.3095 55.8710 38.3630 173.2150 29 T 4.5155 7.3316 106.8333 59.4030 71.8274 173.9259 30 A 4.2714 8.1257 124.3435 51.3356 19.2585 176.7211 31 D 4.7439 8.6328 119.2831 56.4278 41.3274 177.7277 32 G 4.1067 9.2254 111.7259 45.0349 0.0000 173.4928 33 T 4.9691 8.0598 117.6644 63.7874 69.5771 173.6585 34 F 5.9152 9.2085 119.4932 56.5797 41.8713 172.7098 35 L 5.2081 8.4349 118.8387 55.0530 44.3215 173.9004 36 V 5.1703 9.4140 119.1927 61.2151 34.4974 174.4953 37 R 5.2215 8.9631 123.0975 54.0014 33.3571 174.2485 38 D 5.2004 8.9028 119.2828 54.0467 41.3804 176.9162 39 A 4.2994 8.3631 124.9560 52.0808 18.4806 178.3896 40 S 4.2905 8.8676 115.9124 60.6273 63.8199 174.7668 41 T 4.7044 7.5760 110.6402 59.5692 71.5461 174.8782 42 K 4.5715 8.7131 123.3603 58.5376 32.4148 178.4656 43 M 4.0390 8.1859 117.9431 58.2272 32.0712 176.0291 44 H 4.9595 8.5546 115.9172 55.1061 29.7883 174.9917 45 G 3.9379 8.2411 104.3330 45.1447 0.0000 174.4771 46 D 4.3850 8.4779 117.4720 56.3287 41.9990 176.4683 47 Y 5.4493 7.7037 114.0304 56.6660 43.3678 174.1386 48 T 4.8308 9.0873 117.7702 61.7526 71.6334 173.1242 49 L 4.8670 8.7559 129.5863 54.6945 43.6385 175.2292 50 T 5.0865 8.9840 123.7558 61.8135 70.9119 173.3769 51 L 5.1970 8.7472 127.6626 53.1631 46.0044 174.9700 52 R 4.7519 9.0750 126.7492 55.5604 31.7114 175.2534 53 K 4.5956 9.6901 128.2641 55.6311 35.9178 175.9408 54 G 3.7632 10.1831 118.5675 46.8562 0.0000 174.0196 55 G 3.9413 8.5553 103.8837 45.3909 0.0000 173.4687 56 N 5.0330 7.8866 116.0323 51.2318 42.9043 173.7796 57 N 5.1404 8.7030 119.9332 51.9516 39.0077 174.7044 58 K 4.2117 9.0394 124.9335 55.9935 33.6701 176.2311 59 L 4.9908 8.4386 124.2089 53.1269 43.7534 175.8799 60 I 4.3309 8.5179 125.4765 58.9670 39.5704 175.3567 61 K 4.3921 8.5406 127.4305 56.3949 33.5061 176.3117 62 I 4.7238 8.5322 125.6947 59.9387 39.0830 175.0223 63 F 5.1319 9.2735 127.0540 56.9243 40.8983 174.7054 64 H 5.2460 8.6824 120.2182 54.6966 33.2930 172.8417 65 R 4.0995 8.6171 123.3110 56.5521 33.2864 174.4464 66 D 4.4354 9.3910 125.7988 55.6122 38.0523 175.0114 67 G 3.9925 8.2920 106.0869 45.3813 0.0000 173.9967 68 K 4.9665 7.4148 118.7035 55.0871 35.1850 174.9264 69 Y 5.2519 9.2888 118.8656 56.4392 42.7994 174.8085 70 G 4.2128 8.2931 107.6171 46.8876 0.0000 173.8139 71 F 4.9836 8.8516 117.1395 58.4875 39.3804 175.9782 72 S 4.7880 7.6554 112.4178 57.3661 65.3273 173.5246 73 D 4.7397 8.4606 121.0526 52.9483 41.3697 175.0899 74 P 4.3391 0.0000 0.0000 62.4632 32.0698 176.2545 75 L 4.2901 8.3829 121.3961 54.7812 41.1356 176.7977 76 T 4.2085 8.2659 113.7350 61.4569 70.1286 174.7929 77 F 4.5308 8.0304 122.5427 56.6247 39.9619 176.8460 78 S 4.7210 8.8212 120.2882 60.3232 63.6079 174.7547 79 S 4.4739 7.8252 114.0869 55.8080 66.4467 175.1778 80 V 3.3079 7.5389 123.3049 66.2718 31.1605 178.6721 81 V 3.9139 7.6494 117.2261 66.3310 31.4213 177.7577 82 E 4.1342 8.1520 118.1198 58.9651 29.2997 179.1307 83 L 2.0000 7.4027 120.0239 57.5221 42.0800 178.9260 84 I 3.3428 7.5326 119.9012 64.5173 36.8610 178.0332 85 N 4.2396 8.4418 117.4226 56.6231 38.3355 176.8951 86 H 3.9224 7.9398 119.4238 59.1739 29.9246 176.1547 87 Y 4.7002 7.0842 116.8577 57.9534 37.7359 177.5703 88 R 4.1663 7.6191 121.3560 58.1471 30.3108 177.8665 89 N 4.5208 7.5600 115.4743 53.6937 39.3207 175.3017 90 E 4.6917 7.5300 118.9123 53.7798 32.9903 175.3384 91 S 4.4445 8.5026 116.7419 58.4130 63.1161 174.9623 92 L 4.1164 8.8049 126.0187 56.3175 40.7577 179.3248 93 A 4.7905 8.3669 123.5842 54.5318 18.0581 179.4149 94 Q 3.8104 7.9398 115.1139 58.6113 28.7188 177.4154 95 Y 4.7584 8.1241 121.3753 58.2187 39.7704 175.0858 96 N 4.6486 7.3425 118.1823 51.3361 41.7799 173.1831 97 P 4.3198 0.0000 0.0000 64.8191 31.5641 177.1827 98 K 4.2841 8.6067 116.6419 56.9972 32.6522 176.5184 99 L 4.7268 7.2012 118.0912 53.8669 41.1031 178.4755 100 D 4.8466 7.9670 119.2306 52.7400 39.3582 175.6712 101 V 4.4998 7.4022 119.8077 60.2113 34.8408 174.4327 102 K 4.6471 8.4323 122.1003 55.3520 34.7205 176.2860 103 L 3.9941 8.6277 121.8511 54.2558 40.1511 177.4164 104 L 3.9657 8.7754 124.1310 56.0572 43.1335 176.5312 105 Y 4.9097 7.7033 117.7844 54.8576 40.4161 172.7017 106 P 3.6137 0.0000 0.0000 62.5191 32.0759 176.3242 107 V 3.9504 8.5408 125.2799 62.2144 32.0717 174.8829 108 S 4.7227 8.7543 123.4269 57.3263 63.2261 174.0051 109 K 3.3528 7.7566 125.2379 57.4683 32.6441 176.4190 110 Y 4.5184 7.3415 118.7676 59.2767 38.0364 175.4557 111 Q 3.4038 8.1562 115.3794 57.0395 25.9134 174.5056 112 Q 4.1700 8.1368 118.7161 56.1802 29.8058 174.7788 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 N 8.32 4.63 0.00 2.73 2.84 0.00 0.00 7.09 6.91 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 4 N 8.48 4.39 0.00 3.08 2.96 0.00 0.00 6.45 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 5 M 7.75 3.98 0.00 2.06 2.03 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 2.63 2.57 0.00 6 S 7.96 4.04 0.00 4.02 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 7 L 7.60 3.59 0.00 1.39 1.35 0.36 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.75 4.22 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 9 N 7.85 4.85 0.00 2.65 2.81 0.00 0.00 6.93 7.05 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 10 A 7.03 3.69 -0.02 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 0.00 0.00 11 E 8.43 3.53 0.00 2.13 2.36 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 2.31 2.30 0.00 12 W 6.87 4.82 0.00 3.60 3.22 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 0.00 0.00 0.00 13 Y 7.37 5.19 0.00 2.78 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 14 W 8.91 4.24 0.00 3.13 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 15 G 6.03 3.39 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 0.00 16 D 8.59 4.96 0.00 2.67 2.65 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 17 I 7.66 4.73 1.85 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 1.03 0.00 0.00 18 S 8.93 4.57 0.00 4.04 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 19 R 8.55 3.86 0.00 1.78 2.04 0.00 3.19 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 20 E 8.02 4.08 0.00 1.94 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 2.38 2.32 0.00 21 E 7.93 3.90 0.00 2.00 1.86 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 2.28 2.27 0.00 22 V 7.89 3.41 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 0.96 0.00 0.00 0.88 0.00 0.00 23 N 8.02 4.32 0.00 3.01 2.80 0.00 0.00 6.64 7.17 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 24 E 7.52 3.93 0.00 2.01 1.88 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 2.27 2.33 0.00 25 K 7.48 4.03 0.00 1.65 1.58 0.00 1.14 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.39 7.81 26 L 7.53 4.61 0.00 1.63 1.65 0.93 0.81 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 27 R 7.17 3.77 0.00 1.84 1.84 0.00 3.39 0.00 0.00 3.47 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 28 D 8.65 4.38 0.00 2.83 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 29 T 7.33 4.52 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 30 A 8.13 4.27 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 31 D 8.63 4.74 0.00 2.72 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 32 G 9.23 4.11 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 0.00 0.00 0.00 33 T 8.06 4.97 4.34 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 1.26 0.00 0.00 34 F 9.21 5.92 0.00 3.21 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.43 5.21 0.00 2.23 1.88 0.90 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 V 9.41 5.17 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 1.29 0.00 0.00 1.02 0.00 0.00 37 R 8.96 5.22 0.00 2.13 2.08 0.00 2.92 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 38 D 8.90 5.20 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 39 A 8.36 4.30 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 40 S 8.87 4.29 0.00 4.01 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 41 T 7.58 4.70 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 1.25 0.00 0.00 42 K 8.71 4.57 0.00 1.86 1.93 0.00 1.98 0.00 0.00 2.02 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.40 7.81 43 M 8.19 4.04 0.00 1.86 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 44 H 8.55 4.96 0.00 3.29 3.27 0.00 5.71 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 45 G 8.24 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 0.00 0.00 0.00 46 D 8.48 4.38 0.00 2.47 1.78 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 0.00 0.00 0.00 0.00 47 Y 7.70 5.45 0.00 3.02 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 48 T 9.09 4.83 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 1.21 0.00 0.00 49 L 8.76 4.87 0.00 1.80 1.62 0.96 0.24 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 50 T 8.98 5.09 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 51 L 8.75 5.20 0.00 1.66 1.39 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 52 R 9.08 4.75 0.00 2.09 2.02 0.00 3.43 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.65 0.00 53 K 9.69 4.60 0.00 1.82 1.58 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.43 7.81 54 G 10.18 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 0.00 0.00 0.00 55 G 8.56 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 0.00 0.00 0.00 56 N 7.89 5.03 0.00 2.89 2.65 0.00 0.00 6.97 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 57 N 8.70 5.14 0.00 2.56 2.78 0.00 0.00 7.02 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 58 K 9.04 4.21 0.00 1.61 1.67 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.53 7.81 59 L 8.44 4.99 0.00 1.45 1.55 0.95 0.77 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 60 I 8.52 4.33 1.44 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 1.07 0.88 -0.08 0.00 0.00 61 K 8.54 4.39 0.00 1.25 0.99 0.00 1.70 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.39 7.81 62 I 8.53 4.72 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.98 1.17 0.00 0.00 63 F 9.27 5.13 0.00 3.14 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 64 H 8.68 5.25 0.00 3.11 3.27 0.00 5.96 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 65 R 8.62 4.10 0.00 1.77 1.61 0.00 3.23 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 66 D 9.39 4.44 0.00 2.79 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 67 G 8.29 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 68 K 7.41 4.97 0.00 1.63 1.82 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.50 7.81 69 Y 9.29 5.25 0.00 2.98 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 70 G 8.29 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 0.00 0.00 0.00 0.00 71 F 8.85 4.98 0.00 2.46 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 0.00 0.00 0.00 0.00 72 S 7.66 4.79 0.00 4.12 4.17 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 73 D 8.46 4.74 0.00 2.70 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 74 P 0.00 4.34 0.00 2.15 2.03 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 75 L 8.38 4.29 0.00 1.65 1.77 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.27 4.21 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 1.15 0.00 0.00 77 F 8.03 4.53 0.00 3.48 3.22 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 0.00 0.00 0.00 78 S 8.82 4.72 0.00 4.13 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 79 S 7.83 4.47 0.00 3.88 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 80 V 7.54 3.31 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 0.90 0.00 0.00 0.28 0.00 0.00 81 V 7.65 3.91 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 1.02 0.00 0.00 0.99 0.00 0.00 82 E 8.15 4.13 0.00 2.35 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 2.39 2.35 0.00 83 L 7.40 2.00 0.00 1.14 1.52 -0.06 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.53 3.34 1.68 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.36 0.03 0.00 0.00 85 N 8.44 4.24 0.00 2.86 2.86 0.00 0.00 6.73 8.18 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 86 H 7.94 3.92 0.00 3.20 2.89 0.00 5.77 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 87 Y 7.08 4.70 0.00 3.00 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 88 R 7.62 4.17 0.00 1.88 1.94 0.00 3.18 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 1.73 1.44 0.00 89 N 7.56 4.52 0.00 2.64 2.78 0.00 0.00 6.80 7.65 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 90 E 7.53 4.69 0.00 1.74 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 91 S 8.50 4.44 0.00 3.88 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 92 L 8.80 4.12 0.00 1.96 1.62 0.46 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.37 4.79 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 94 Q 7.94 3.81 0.00 2.33 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.76 0.00 0.00 0.00 0.00 0.00 2.79 2.65 0.00 95 Y 8.12 4.76 0.00 2.93 3.23 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 0.00 0.00 0.00 0.00 96 N 7.34 4.65 0.00 1.84 2.37 0.00 0.00 7.30 7.59 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 97 P 0.00 4.32 0.00 2.04 2.08 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 98 K 8.61 4.28 0.00 1.70 1.80 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.47 7.81 99 L 7.20 4.73 0.00 1.44 1.54 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 100 D 7.97 4.85 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.40 4.50 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.92 0.00 0.00 102 K 8.43 4.65 0.00 1.65 1.91 0.00 1.61 0.00 0.00 1.94 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.44 7.81 103 L 8.63 3.99 0.00 1.11 0.13 0.33 0.10 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 0.00 104 L 8.78 3.97 0.00 0.97 0.22 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 7.70 4.91 0.00 2.92 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 0.00 106 P 0.00 3.61 0.00 2.16 2.14 0.00 3.98 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 107 V 8.54 3.95 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 0.87 0.00 0.00 0.89 0.00 0.00 108 S 8.75 4.72 0.00 4.11 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 0.00 109 K 7.76 3.35 0.00 0.79 0.74 0.00 0.84 0.00 0.00 0.98 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.45 0.21 7.81 110 Y 7.34 4.52 0.00 3.10 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 0.00 111 Q 8.16 3.40 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 112 Q 8.14 4.17 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00