NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3609 8.3001 120.3258 55.0589 33.2868 176.1789 2 A 4.0080 8.4072 126.6109 51.6680 16.3761 173.8063 3 A 4.4945 7.9395 123.5305 50.9638 21.3375 175.8175 4 S 4.7660 8.2918 116.7268 56.6660 65.3946 173.7771 5 T 4.2560 8.2965 118.8338 62.8298 68.8568 174.7832 6 V 4.2050 8.2004 126.1358 60.2011 33.2960 175.4141 7 H 4.5707 8.4390 122.6544 54.8996 28.8886 174.8024 8 T 4.2958 7.8569 123.5550 63.1642 66.7835 174.5628 9 S 4.1257 8.0939 122.4346 58.0609 64.8187 172.5793 10 F 5.4307 8.4588 119.1328 55.8721 41.9122 174.7999 11 I 4.5574 8.7494 123.6931 59.3724 40.0059 174.3990 12 L 4.5839 8.5139 128.7817 54.2932 43.5332 175.2678 13 K 5.0963 8.8752 125.5218 54.6330 35.6642 175.5104 14 V 4.5525 8.5130 122.8058 61.0399 34.5380 174.2838 15 L 4.6562 8.8376 132.0802 53.1613 42.7453 175.1489 16 W 4.7466 8.9404 135.0000 56.5855 31.4439 175.8102 17 L 4.8152 7.8844 127.7467 52.9763 43.8121 176.4317 18 D 4.6192 8.8492 118.7525 57.6657 40.7132 177.8896 19 Q 4.7465 8.0936 112.6303 55.7061 29.2612 173.9318 20 N 5.0489 7.8492 115.6399 52.3289 43.1133 172.9873 21 V 4.6476 8.1013 117.0369 60.5960 34.8517 173.0492 22 A 5.7581 9.2164 125.6485 49.0675 22.4035 174.8877 23 I 5.0754 8.0549 112.5573 59.2801 41.4129 174.3840 24 A 4.4801 8.6148 125.1115 50.9150 22.8202 175.3230 25 V 4.6911 8.6650 123.3287 61.4886 34.1586 174.4228 26 D 5.6449 9.0876 126.3511 52.5688 44.4803 174.8327 27 Q 4.9662 8.9203 119.7497 54.7969 31.0956 174.8637 28 I 4.3601 8.7460 125.1352 61.1148 37.8787 175.6017 29 V 4.1878 8.5035 128.0592 60.9083 33.2736 177.0766 30 G 3.8878 8.8394 112.7024 47.8983 0.0000 174.4582 31 K 4.6323 9.1216 117.1324 54.7038 34.2797 173.4355 32 G 4.1743 6.6801 115.1604 44.6370 0.0000 176.7491 33 T 5.3186 8.1960 114.8691 60.0075 72.3790 172.0018 34 S 4.6436 8.9797 116.9326 56.2209 67.7264 171.6206 35 P 4.9566 0.0000 0.0000 62.9703 31.0995 175.8655 36 L 4.4378 8.7599 127.4224 57.4444 42.5329 176.6968 37 T 4.7192 7.8229 106.5898 59.7263 71.7951 173.3273 38 S 4.2124 8.0590 117.5994 57.1448 64.2511 173.0121 39 Y 3.8073 8.0130 120.0077 57.9691 38.0456 175.9294 40 F 4.6233 8.3083 125.0558 56.4722 40.6633 175.6632 41 F 4.3587 9.0989 123.9059 56.6115 39.4609 174.5858 42 W 5.0650 9.4889 135.0000 54.8607 32.1513 174.7729 43 P 3.7784 0.0000 0.0000 62.2077 31.0538 176.7730 44 R 3.9007 7.8439 119.1747 58.7197 30.1421 176.5303 45 A 4.8777 8.4571 119.3202 49.6357 22.3305 175.5076 46 D 5.1597 8.4255 120.0736 53.6954 37.7165 176.9633 47 A 4.0604 8.4597 125.3649 55.0150 18.8593 178.8972 48 W 3.9377 8.0610 125.4536 60.4216 30.7623 177.9191 49 Q 3.7634 8.1516 118.8702 59.4480 28.5920 178.1899 50 Q 3.6055 8.0376 119.2572 58.3190 28.4949 178.5550 51 L 3.7703 7.6380 122.1091 57.9734 42.2157 179.2382 52 K 3.5830 7.4757 118.8200 59.6413 32.2470 178.4189 53 D 4.2245 7.9404 119.4547 57.1535 41.0351 178.0883 54 E 3.8717 8.0672 119.0369 59.5718 29.2806 179.4901 55 L 3.6839 7.3919 117.4791 57.6115 41.6226 179.1282 56 E 3.9309 8.2775 118.0488 58.8967 29.4611 178.7869 57 A 4.1755 7.9498 120.7146 54.0546 19.6071 178.8232 58 K 4.3546 8.0682 119.3766 55.8349 30.5221 177.3515 59 H 4.4125 8.4246 118.2400 56.5292 29.0126 176.3095 60 W 4.6100 8.0515 115.8985 56.9133 28.7323 176.3700 61 I 3.6877 7.0716 121.1119 60.7629 37.4367 176.1878 62 A 4.4156 8.2388 126.1323 50.9510 20.9634 178.1562 63 E 3.7667 8.6036 121.5063 59.4179 29.8252 178.9609 64 A 4.0001 8.0846 120.1933 55.4760 18.4397 179.1959 65 D 4.3894 8.0685 116.7321 57.5291 41.1040 179.0579 66 R 3.6917 7.8587 116.5433 59.2964 29.3034 178.8632 67 I 3.6757 7.9956 121.0587 63.9569 37.1923 177.5016 68 N 4.2751 8.2015 117.7462 57.3012 38.7980 177.3498 69 V 3.8897 7.7683 112.8447 64.2442 31.5148 178.6967 70 L 4.2057 8.0559 119.0533 57.5023 41.4275 179.1488 71 N 4.4128 8.5207 117.2111 56.4652 38.5377 177.4532 72 Q 4.1288 8.0847 118.3332 59.1855 28.6442 178.2081 73 A 3.8789 8.1637 122.6978 55.2971 18.3775 179.6272 74 T 3.4677 8.2315 114.3231 66.8278 68.4391 176.6674 75 E 4.1163 8.3392 120.3915 59.3664 29.4205 179.5795 76 V 3.5350 7.8575 118.4164 66.0004 31.4612 178.2059 77 I 3.5949 7.8037 119.5713 64.4890 36.7978 178.2448 78 N 4.4554 8.5855 117.7707 56.0952 38.4322 177.2255 79 F 4.2941 9.0132 122.6188 61.1194 39.5185 176.8936 80 W 4.3685 9.0579 128.2473 60.7702 30.5854 177.4650 81 Q 3.8109 8.9821 119.8522 59.3649 28.3274 177.8086 82 D 4.3090 8.4010 119.0487 57.4104 41.1701 178.4670 83 L 3.8119 7.5043 119.0709 57.5959 41.4410 179.1923 84 K 3.6223 7.3931 118.4743 59.5257 31.9697 178.1461 85 N 4.4403 7.6252 115.3356 55.7470 38.7229 176.7804 86 Q 4.1979 7.7026 117.0348 55.1400 29.4580 175.3299 87 N 4.2109 8.6366 117.4776 53.7776 36.6486 176.5570 88 K 3.7297 8.0642 118.5802 57.8850 32.4501 178.3312 89 Q 3.7297 7.6238 115.4269 56.4750 26.7144 173.7597 90 I 4.0095 7.0145 111.1202 60.8718 38.5246 175.1470 91 S 4.5284 8.8599 115.7240 57.0813 63.6883 174.4479 92 M 3.5852 8.5382 123.8198 58.8162 31.7047 178.4243 93 A 3.8804 7.8034 120.1886 55.1840 18.1415 179.2995 94 E 3.8315 7.9817 116.6361 59.3454 29.4111 179.4659 95 A 3.3949 7.6188 120.4903 55.0114 18.2284 179.5281 96 Q 3.7943 7.4365 115.8325 58.8242 28.7844 178.9917 97 G 3.5770 7.9065 105.8250 46.7470 0.0000 175.0188 98 K 3.9942 6.8223 120.5828 56.8058 33.6130 176.5379 99 F 4.8624 7.5787 119.7508 54.5816 38.6810 173.9062 100 P 4.3097 0.0000 0.0000 65.0441 31.6533 178.1873 101 E 4.3166 8.1683 116.0683 56.7491 30.1172 175.7850 102 V 4.3580 7.5084 119.9701 61.7020 32.9141 175.5551 103 V 4.2527 8.8403 128.9733 61.9797 32.0536 174.9535 104 F 5.1940 9.1147 127.2148 57.2467 40.3959 175.0340 105 S 4.7801 9.3862 115.8378 57.2967 67.0035 172.5773 106 G 4.4968 8.4866 106.2866 43.6717 0.0000 172.5930 107 S 4.6314 8.4963 113.8424 58.3549 63.6274 175.5654 108 N 4.3648 8.4718 121.3569 57.3710 38.8882 174.5003 109 L 4.5574 7.4602 115.5059 52.6308 43.8206 175.6421 110 E 4.1071 8.6209 119.4666 57.0888 29.0196 176.5643 111 H 4.7195 8.4920 122.6336 56.1036 30.7928 174.7908 112 H 4.3105 7.4792 116.6440 59.4777 28.7136 175.5881 113 H 4.4374 7.9646 116.8445 55.1285 28.6219 175.1768 114 H 4.2213 8.8412 122.7946 56.5028 26.8560 174.3829 115 H 4.9530 7.9382 116.1070 54.8289 29.6020 173.8958 116 H 4.3903 7.8862 122.4477 56.8775 29.4974 173.3919 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.36 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 A 8.41 4.01 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 3 A 7.94 4.49 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.29 4.77 0.00 3.98 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 5 T 8.30 4.26 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 1.24 0.00 0.00 6 V 8.20 4.21 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 0.79 0.00 0.00 0.92 0.00 0.00 7 H 8.44 4.57 0.00 3.13 3.28 0.00 5.73 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.86 4.30 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 1.22 0.00 0.00 9 S 8.09 4.13 0.00 3.70 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 10 F 8.46 5.43 0.00 2.85 2.82 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 11 I 8.75 4.56 1.89 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 1.14 0.82 0.98 0.00 0.00 12 L 8.51 4.58 0.00 1.83 1.56 0.83 0.54 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 13 K 8.88 5.10 0.00 1.59 1.79 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.42 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.43 7.81 14 V 8.51 4.55 0.67 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 0.80 0.00 0.00 0.49 0.00 0.00 15 L 8.84 4.66 0.00 0.43 1.03 0.27 0.77 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 16 W 8.94 4.75 0.00 3.75 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 17 L 7.88 4.82 0.00 1.82 1.64 1.07 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.85 4.62 0.00 2.71 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 19 Q 8.09 4.75 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 20 N 7.85 5.05 0.00 2.71 2.78 0.00 0.00 6.61 7.69 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 21 V 8.10 4.65 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.65 0.00 0.00 22 A 9.22 5.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.05 5.08 1.79 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 1.30 0.99 0.77 0.00 0.00 24 A 8.61 4.48 0.22 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 0.00 0.00 25 V 8.66 4.69 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 1.07 0.00 0.00 0.83 0.00 0.00 26 D 9.09 5.64 0.00 2.60 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 27 Q 8.92 4.97 0.00 2.34 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 28 I 8.75 4.36 1.82 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 1.09 1.20 0.93 0.00 0.00 29 V 8.50 4.19 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 0.89 0.00 0.00 1.00 0.00 0.00 30 G 8.84 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 31 K 9.12 4.63 0.00 1.71 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.37 7.81 32 G 6.68 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 0.00 0.00 0.00 33 T 8.20 5.32 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 1.21 0.00 0.00 34 S 8.98 4.64 0.00 3.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.96 0.00 1.95 2.00 0.00 3.75 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 36 L 8.76 4.44 0.00 1.78 1.83 1.28 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.82 4.72 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 1.20 0.00 0.00 38 S 8.06 4.21 0.00 3.88 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.01 3.81 0.00 2.38 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 0.00 0.00 0.00 40 F 8.31 4.62 0.00 2.98 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 41 F 9.10 4.36 0.00 3.06 2.99 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 42 W 9.49 5.07 0.00 3.33 2.81 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 43 P 0.00 3.78 0.00 1.35 0.49 0.00 3.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 44 R 7.84 3.90 0.00 1.96 2.01 0.00 3.08 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 45 A 8.46 4.88 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 46 D 8.43 5.16 0.00 2.72 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 47 A 8.46 4.06 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.06 3.94 0.00 3.13 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 49 Q 8.15 3.76 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 50 Q 8.04 3.61 0.00 1.13 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.74 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 51 L 7.64 3.77 0.00 1.74 1.55 0.90 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.48 3.58 0.00 1.49 1.12 0.00 0.61 0.00 0.00 1.22 0.00 0.00 2.37 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.10 1.25 7.81 53 D 7.94 4.22 0.00 2.72 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 54 E 8.07 3.87 0.00 2.12 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 0.00 2.47 2.74 0.00 55 L 7.39 3.68 0.00 1.48 1.36 0.58 0.44 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 56 E 8.28 3.93 0.00 1.86 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 2.19 2.29 0.00 57 A 7.95 4.18 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.07 4.35 0.00 1.45 1.62 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.64 7.81 59 H 8.42 4.41 0.00 3.19 3.39 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 W 8.05 4.61 0.00 3.60 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 61 I 7.07 3.69 1.70 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 -0.36 0.54 0.00 0.00 62 A 8.24 4.42 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 63 E 8.60 3.77 0.00 2.02 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 0.00 2.37 2.36 0.00 64 A 8.08 4.00 1.35 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 0.00 0.00 65 D 8.07 4.39 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.86 3.69 0.00 1.79 1.92 0.00 2.59 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 67 I 8.00 3.68 1.91 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 1.59 0.95 0.95 0.00 0.00 68 N 8.20 4.28 0.00 2.97 3.04 0.00 0.00 7.34 7.06 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 69 V 7.77 3.89 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 1.02 0.00 0.00 0.86 0.00 0.00 70 L 8.06 4.21 0.00 1.98 2.05 0.53 -0.38 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 71 N 8.52 4.41 0.00 2.96 2.92 0.00 0.00 6.74 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 72 Q 8.08 4.13 0.00 2.42 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 73 A 8.16 3.88 1.54 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 74 T 8.23 3.47 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 0.94 0.00 0.00 75 E 8.34 4.12 0.00 2.54 2.40 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 2.44 2.69 0.00 76 V 7.86 3.53 2.00 0.00 0.00 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 0.02 0.00 0.00 77 I 7.80 3.59 1.62 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.52 -0.15 0.00 0.00 78 N 8.59 4.46 0.00 2.82 2.96 0.00 0.00 6.70 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 79 F 9.01 4.29 0.00 3.63 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 80 W 9.06 4.37 0.00 3.63 3.51 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 81 Q 8.98 3.81 0.00 2.73 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.76 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 82 D 8.40 4.31 0.00 2.97 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.50 3.81 0.00 1.73 1.61 1.06 0.31 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 84 K 7.39 3.62 0.00 0.79 1.40 0.00 1.54 0.00 0.00 1.47 0.00 0.00 3.04 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.07 1.29 7.81 85 N 7.63 4.44 0.00 2.66 2.80 0.00 0.00 7.18 8.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.70 4.20 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 87 N 8.64 4.21 0.00 2.90 2.85 0.00 0.00 6.81 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.06 3.73 0.00 1.74 1.83 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.41 7.81 89 Q 7.62 3.73 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 90 I 7.01 4.01 1.98 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 1.17 0.41 0.91 0.00 0.00 91 S 8.86 4.53 0.00 3.82 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.54 3.59 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.42 0.00 93 A 7.80 3.88 1.25 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 0.00 0.00 0.00 94 E 7.98 3.83 0.00 2.19 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 2.29 2.28 0.00 95 A 7.62 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.44 3.79 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 7.50 0.00 0.00 0.00 0.00 0.00 2.10 2.36 0.00 97 G 7.91 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 98 K 6.82 3.99 0.00 1.07 0.74 0.00 0.61 0.00 0.00 1.00 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.98 0.88 7.81 99 F 7.58 4.86 0.00 3.23 3.02 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 0.00 100 P 0.00 4.31 0.00 2.19 2.17 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 101 E 8.17 4.32 0.00 2.05 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 2.31 2.33 0.00 102 V 7.51 4.36 2.44 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 0.60 0.00 0.00 1.00 0.00 0.00 103 V 8.84 4.25 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 0.97 0.00 0.00 0.99 0.00 0.00 104 F 9.11 5.19 0.00 2.89 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 0.00 105 S 9.39 4.78 0.00 3.82 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 0.00 106 G 8.49 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.50 4.63 0.00 4.01 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 0.00 108 N 8.47 4.36 0.00 2.73 2.91 0.00 0.00 7.18 7.80 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 0.00 109 L 7.46 4.56 0.00 1.69 1.65 0.95 0.94 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 0.00 110 E 8.62 4.11 0.00 2.06 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 2.39 2.37 0.00 111 H 8.49 4.72 0.00 3.04 3.32 0.00 5.92 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 H 7.48 4.31 0.00 3.42 3.21 0.00 5.90 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.96 4.44 0.00 3.21 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 H 8.84 4.22 0.00 3.12 3.31 0.00 5.83 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 7.94 4.95 0.00 3.12 3.31 0.00 5.57 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.89 4.39 0.00 3.17 3.21 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