NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3975 8.2649 123.5799 52.4711 18.8976 175.2647 3 R 4.5268 8.3520 117.6191 58.2575 36.7438 175.4323 4 R 4.0826 9.0257 116.5062 58.8624 31.1297 176.7141 5 R 4.6816 7.5095 113.1944 54.5919 33.9693 174.8100 6 R 4.1906 8.5706 118.6315 55.2676 31.1110 177.5393 7 A 3.6739 7.8457 119.2361 52.6379 17.2182 176.0167 8 E 4.4694 8.4407 114.8155 54.8007 32.3930 175.5014 9 V 3.6115 8.4413 123.9315 63.2736 32.0509 175.2943 10 R 4.3892 8.2976 125.1137 54.5296 30.9182 176.3322 11 Q 4.0359 8.6583 122.6775 55.7274 29.0113 176.5313 12 L 3.9837 8.4676 123.2109 54.7963 42.1953 177.2713 13 Q 3.9956 8.5225 120.9018 55.2161 28.0423 174.4488 14 P 4.2672 0.0000 0.0000 62.2916 31.6430 175.0964 15 D 4.5900 8.3096 117.4033 54.5121 41.8254 175.9467 16 L 4.4361 8.2921 119.2014 56.3863 43.7652 178.8147 17 V 3.7528 8.0586 116.0055 65.1676 31.7004 175.9864 18 Y 4.3761 7.7009 114.2272 56.1995 40.0758 173.1446 19 G 4.2024 8.5461 111.1600 44.3497 0.0000 170.8766 20 D 4.3728 7.7338 118.8205 52.4419 44.6164 177.3542 21 V 3.6449 8.2474 120.6679 64.6488 31.4930 178.4155 22 L 4.0435 8.0482 116.8313 57.9232 41.2823 179.2608 23 V 3.7731 8.0911 119.0017 65.8155 31.6469 177.6046 24 T 3.8327 7.6644 107.3824 63.1713 68.3755 175.1927 25 A 4.0073 8.2860 123.5917 55.6854 18.0391 178.8758 26 F 4.5036 8.6423 119.0919 60.5289 40.1536 176.9678 27 I 3.5819 7.4154 119.1904 64.6722 36.6530 177.7066 28 N 4.2783 7.9532 115.9809 56.3481 38.4370 176.9643 29 K 4.1946 7.1396 115.2553 58.7264 32.5652 178.9497 30 I 3.6232 7.6503 119.7491 63.3987 37.7772 177.1086 31 M 4.2833 7.6149 119.1736 54.3593 30.3881 174.9240 32 R 3.9219 7.6641 120.1522 56.7883 30.5259 175.8753 33 D 4.6991 8.8320 125.5180 55.7345 39.5289 172.7502 34 G 2.9855 6.7773 107.7817 44.6010 0.0000 172.1249 35 K 4.3081 7.4148 121.6385 54.7089 34.0382 176.4146 36 K 4.0888 8.6744 127.7381 58.0849 32.7881 176.9975 37 N 4.5171 7.9718 116.2637 56.3083 39.3061 175.9489 38 L 3.8186 7.8041 118.7622 58.6270 42.4656 178.5793 39 A 4.0518 8.0850 120.2967 55.3403 18.5863 178.6680 40 A 4.4864 7.7279 115.4350 52.7184 18.3943 178.1827 41 R 4.6051 8.5386 117.7985 58.2546 32.9746 177.4009 42 I 4.1897 7.7887 114.4764 62.1012 36.7155 176.3324 43 F 4.5629 8.5382 119.9026 58.1264 40.5568 177.0283 44 Y 4.6970 8.5585 116.9500 57.8490 37.3633 175.3084 45 D 4.8171 8.7494 119.6460 53.7738 45.8223 177.1389 46 A 3.9113 8.3352 121.8661 55.1407 18.2783 179.2652 47 C 3.9394 7.9606 112.3336 61.4713 29.8164 176.0015 48 K 4.0827 8.0915 120.2238 58.5801 31.2365 179.1704 49 I 3.6818 7.6285 120.6936 64.3983 36.7555 178.2009 50 I 3.7331 7.2127 120.0628 64.6367 36.8315 178.3423 51 Q 3.9817 7.8936 119.7825 55.9561 28.9900 177.5244 52 E 4.2314 8.5307 116.9324 56.7541 29.0818 177.8829 53 K 4.4786 5.6600 123.4344 60.4030 32.9880 176.8042 54 T 4.1444 7.5816 116.2801 62.9319 68.8547 176.0981 55 G 3.9175 8.7852 112.5105 46.7766 0.0000 172.8213 56 Q 4.6866 8.0963 118.5505 53.4603 32.7621 174.9730 57 E 4.3847 8.4634 119.5603 55.3839 30.5531 176.3567 58 P 4.2610 0.0000 0.0000 66.2480 30.7996 178.2143 59 L 4.1320 8.0756 118.5934 58.1628 41.9140 178.6409 60 K 4.2258 7.8817 116.3751 57.5895 33.3480 177.9784 61 V 4.1399 7.7963 121.7738 61.5641 31.5593 175.1769 62 F 4.7911 8.0664 133.4452 58.5331 38.6095 176.9459 63 K 4.2583 9.1989 116.8931 56.4457 32.6179 177.5418 64 Q 3.9890 8.4270 123.0245 59.2339 29.0455 176.5654 65 A 3.8674 7.8665 121.7971 54.8817 18.2724 179.1467 66 V 3.4478 7.6374 115.5997 66.1362 31.5194 177.5811 67 E 4.0101 7.6970 117.3762 59.5115 29.6633 178.1866 68 N 4.5244 7.6492 112.8462 53.6173 39.4924 175.2706 69 V 4.0694 7.3570 119.9524 62.6082 32.0652 176.7260 70 K 4.4929 7.5076 117.4948 53.8693 32.4128 174.8349 71 P 4.6034 0.0000 0.0000 61.9769 33.5848 176.8849 72 R 4.5479 8.4833 114.7557 56.4187 31.4825 174.5432 73 M 4.9279 7.4703 116.8736 53.9752 35.5259 172.9724 74 E 4.6570 8.2076 115.8489 56.5748 31.8147 174.1190 75 V 4.3325 8.2926 118.6153 61.4986 32.7683 174.8990 76 R 4.5210 8.0783 125.9276 56.3630 33.3007 173.7231 77 S 4.6057 8.1171 110.8768 58.6091 65.1277 174.6639 78 R 4.3787 8.0560 121.5959 55.6866 32.5678 174.4289 79 R 4.5152 8.3886 123.5852 55.0165 31.3869 174.3295 80 V 4.3028 7.7883 115.3580 61.6620 34.2414 176.3069 81 G 4.9248 7.3893 115.9969 44.5179 0.0000 174.2235 82 G 5.0115 7.4285 122.8883 46.1190 0.0000 172.4660 83 A 4.5313 7.4084 120.7546 50.1214 22.3700 174.4633 84 N 4.7194 7.9754 116.3180 52.0652 40.6789 173.2238 85 Y 5.0030 8.2639 122.8510 55.9568 41.2059 174.9760 86 Q 4.0763 9.1734 123.9554 56.9985 29.4625 177.0118 87 V 4.2518 8.4324 125.4691 60.5974 31.8697 173.4405 88 P 4.8292 0.0000 0.0000 62.7053 32.5479 175.9580 89 M 4.5852 8.2673 116.2989 55.6431 34.0157 173.8931 90 E 3.8599 9.1377 118.9381 57.1481 30.1268 176.9232 91 V 4.4588 8.3004 125.1682 60.9883 33.6728 174.7103 92 S 4.8713 8.1893 119.8592 55.3076 65.7863 173.3020 93 P 4.2966 0.0000 0.0000 65.2192 30.7020 178.1702 94 R 3.8074 7.9984 118.0960 59.9824 30.0815 177.3295 95 R 4.2062 7.8745 116.8877 58.3345 30.4178 177.8806 96 Q 4.0008 7.7883 118.6394 59.0936 28.4800 179.2052 97 Q 3.9542 7.6755 116.7927 59.6268 28.8178 178.9881 98 S 4.2614 7.9412 117.0387 61.0728 63.1277 176.5741 99 L 4.0901 8.6942 121.5960 57.4463 41.1158 178.9438 100 A 4.2932 8.2769 119.7651 53.6652 18.3045 178.1620 101 L 4.1103 7.6548 116.3415 54.1983 42.5023 178.0750 102 R 3.7053 8.4462 120.5070 59.0347 29.9831 177.9468 103 W 4.3810 8.4707 119.2659 59.1540 28.9159 178.1064 104 L 3.9930 7.2301 117.8417 58.6628 41.4065 179.1481 105 V 3.7817 8.2655 117.8439 66.4311 31.1996 177.7353 106 Q 4.1824 8.0719 116.3281 59.2998 28.2333 177.7878 107 A 4.5398 8.5394 119.5522 52.1870 18.4171 177.2142 108 A 4.6679 8.3556 119.1258 52.0792 19.6005 176.2045 109 N 4.8770 7.3153 110.8096 55.3567 41.8939 176.2506 110 Q 4.3857 7.6895 123.9316 56.0434 27.0262 174.9174 111 R 4.6921 7.7675 119.3977 53.7558 34.2294 173.8827 112 P 5.0106 0.0000 0.0000 63.4135 32.4772 176.8412 113 E 4.8115 7.4762 119.5956 57.6952 29.7723 175.6820 114 R 4.6251 8.2076 127.9305 55.7109 31.7295 175.1864 115 R 4.0197 8.6509 122.2073 57.0797 31.9606 176.6497 116 A 3.9191 8.7152 120.5348 55.9095 18.2871 179.4965 117 A 4.2790 7.9135 119.2728 55.2680 18.3929 179.7460 118 V 3.5098 7.7577 115.4430 66.2101 31.4595 178.2538 119 R 3.9340 7.7561 116.4326 59.4098 30.1150 178.5779 120 I 3.7535 8.4246 119.5522 64.5023 37.1566 177.8544 121 A 4.2107 7.8770 120.6278 55.8786 18.0469 179.2532 122 H 4.4591 8.1251 109.1890 56.9166 28.6924 175.8491 123 E 4.6485 8.1657 121.4040 55.9259 31.9614 177.5124 124 L 3.9142 8.7336 119.0873 58.1906 41.8966 178.5639 125 M 4.1744 7.9882 117.0977 58.2930 32.0541 176.5022 126 D 4.8575 7.9756 118.6763 54.9242 41.2778 176.1739 127 A 4.7357 7.9436 117.5723 50.7652 19.5680 176.3216 128 A 4.5742 7.6552 122.1618 53.0150 22.5269 177.7630 129 E 3.8144 8.5162 117.9596 55.4674 31.4283 177.7558 130 G 4.9648 6.6588 125.5663 46.5041 0.0000 172.3041 131 K 4.5101 7.6457 116.8365 55.9475 35.7776 174.4398 132 G 4.1141 8.1052 111.8846 44.5216 0.0000 175.6882 133 G 4.0815 8.8625 111.2142 45.3776 0.0000 174.0189 134 A 4.1722 8.0730 122.3365 53.9199 18.1833 179.0542 135 V 3.3748 8.4300 117.9212 65.3851 32.0800 175.9045 136 K 3.7838 8.2332 118.0671 59.9615 31.8015 178.2323 137 K 4.9073 8.6779 119.9252 58.8154 32.1754 179.3748 138 K 3.6262 8.1082 119.5470 59.6160 32.4568 178.5390 139 E 4.7825 8.4506 120.3238 58.7207 29.2252 179.1140 140 D 4.3632 7.8535 119.0187 57.5524 41.0489 178.9002 141 V 3.6899 7.8996 118.3894 66.1740 31.4951 177.8834 142 E 4.0793 8.0700 117.9710 59.1547 29.1148 179.0267 143 R 4.1264 7.9317 116.7450 58.0317 31.0071 177.4215 144 M 4.4686 7.5847 119.6407 55.7650 30.7551 174.8804 145 A 4.5925 7.4815 127.8861 49.6169 21.5975 177.5214 146 E 3.6398 9.4579 117.9683 59.1452 27.9657 175.5859 147 A 4.5067 8.9082 123.1224 52.9339 19.4673 179.3392 148 N 4.2554 8.2168 116.7199 55.5490 43.9648 177.1790 149 R 3.7800 7.6837 116.6837 58.4874 30.2267 177.1367 150 A 4.0316 7.3152 119.2310 54.9234 18.7823 177.7050 151 Y 4.6571 7.2828 116.2955 57.3624 36.2448 174.3046 152 A 4.5131 7.5262 123.7463 53.8802 21.6806 177.5414 153 H 4.2162 8.4687 109.7232 58.6961 28.6651 175.2212 154 Y 4.2692 7.3203 118.6111 58.0455 36.8734 175.0547 155 R 4.4427 8.2410 123.9378 54.6568 32.7104 176.5844 156 W 3.9849 7.9319 121.1870 57.2261 29.1294 173.8489 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 2 A 8.26 4.40 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 R 8.35 4.53 0.00 1.80 1.89 0.00 3.27 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 4 R 9.03 4.08 0.00 1.79 2.01 0.00 3.14 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 5 R 7.51 4.68 0.00 1.72 1.76 0.00 3.18 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 6 R 8.57 4.19 0.00 1.75 1.92 0.00 3.37 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 7 A 7.85 3.67 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 8 E 8.44 4.47 0.00 1.90 1.84 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 2.21 2.28 0.00 9 V 8.44 3.61 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 0.80 0.00 0.00 0.94 0.00 0.00 10 R 8.30 4.39 0.00 1.84 1.85 0.00 3.27 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 11 Q 8.66 4.04 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 12 L 8.47 3.98 0.00 1.62 1.62 1.00 1.01 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 13 Q 8.52 4.00 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 14 P 0.00 4.27 0.00 2.19 2.13 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 15 D 8.31 4.59 0.00 2.99 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 16 L 8.29 4.44 0.00 1.66 1.66 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.06 3.75 2.30 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 0.63 0.00 0.00 1.08 0.00 0.00 18 Y 7.70 4.38 0.00 3.10 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 19 G 8.55 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.73 4.37 0.00 2.69 2.51 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 21 V 8.25 3.64 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 0.81 0.00 0.00 0.95 0.00 0.00 22 L 8.05 4.04 0.00 1.77 1.71 1.10 0.78 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 23 V 8.09 3.77 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 0.90 0.00 0.00 0.93 0.00 0.00 24 T 7.66 3.83 4.20 0.00 0.00 0.00 0.00 0.00 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 25 A 8.29 4.01 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 26 F 8.64 4.50 0.00 3.09 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 I 7.42 3.58 1.84 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 0.72 0.00 0.00 28 N 7.95 4.28 0.00 3.05 2.91 0.00 0.00 7.07 7.32 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 29 K 7.14 4.19 0.00 1.99 1.89 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.74 7.81 30 I 7.65 3.62 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.36 0.85 0.00 0.00 31 M 7.61 4.28 0.00 2.16 1.98 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 2.53 0.00 32 R 7.66 3.92 0.00 1.95 1.90 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 33 D 8.83 4.70 0.00 2.86 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 34 G 6.78 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 0.00 0.00 0.00 35 K 7.41 4.31 0.00 1.73 1.64 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.40 7.81 36 K 8.67 4.09 0.00 1.74 1.81 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 37 N 7.97 4.52 0.00 2.82 2.77 0.00 0.00 6.67 6.54 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 38 L 7.80 3.82 0.00 1.77 1.84 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.08 4.05 1.33 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 0.00 0.00 40 A 7.73 4.49 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.54 4.61 0.00 2.06 1.91 0.00 3.08 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.85 0.00 42 I 7.79 4.19 1.98 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 1.36 0.81 0.89 0.00 0.00 43 F 8.54 4.56 0.00 3.12 3.01 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 0.00 0.00 0.00 44 Y 8.56 4.70 0.00 2.98 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 45 D 8.75 4.82 0.00 2.79 2.90 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 46 A 8.34 3.91 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 47 C 7.96 3.94 0.00 3.17 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 48 K 8.09 4.08 0.00 2.00 2.08 0.00 1.94 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.58 1.59 7.81 49 I 7.63 3.68 2.10 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 1.38 0.90 0.00 0.00 50 I 7.21 3.73 2.06 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 1.40 0.84 1.00 0.00 0.00 51 Q 7.89 3.98 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 52 E 8.53 4.23 0.00 2.17 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 53 K 5.66 4.48 0.00 1.78 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.52 7.81 54 T 7.58 4.14 4.46 0.00 0.00 0.00 0.00 0.00 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 55 G 8.79 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 0.00 0.00 0.00 56 Q 8.10 4.69 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 57 E 8.46 4.38 0.00 2.05 1.90 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 2.42 2.31 0.00 58 P 0.00 4.26 0.00 2.26 2.48 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 59 L 8.08 4.13 0.00 1.71 1.81 1.01 0.63 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 K 7.88 4.23 0.00 2.01 1.88 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.60 7.81 61 V 7.80 4.14 2.18 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 0.73 0.00 0.00 0.98 0.00 0.00 62 F 8.07 4.79 0.00 3.07 2.35 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 63 K 9.20 4.26 0.00 1.87 1.70 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.12 0.55 7.81 64 Q 8.43 3.99 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 65 A 7.87 3.87 1.21 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 66 V 7.64 3.45 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 0.83 0.00 0.00 0.84 0.00 0.00 67 E 7.70 4.01 0.00 1.98 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 2.29 2.35 0.00 68 N 7.65 4.52 0.00 2.55 2.69 0.00 0.00 6.86 9.03 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 69 V 7.36 4.07 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 0.72 0.00 0.00 0.82 0.00 0.00 70 K 7.51 4.49 0.00 1.72 1.65 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.55 7.81 71 P 0.00 4.60 0.00 2.22 2.07 0.00 3.75 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 72 R 8.48 4.55 0.00 1.78 1.96 0.00 3.14 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 73 M 7.47 4.93 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 74 E 8.21 4.66 0.00 2.07 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 2.20 2.30 0.00 75 V 8.29 4.33 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 0.86 0.00 0.00 0.94 0.00 0.00 76 R 8.08 4.52 0.00 2.05 1.82 0.00 3.49 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 77 S 8.12 4.61 0.00 3.78 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 78 R 8.06 4.38 0.00 1.74 1.70 0.00 3.51 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 79 R 8.39 4.52 0.00 1.80 1.81 0.00 3.17 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 80 V 7.79 4.30 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 0.98 0.00 0.00 81 G 7.39 4.92 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 0.00 0.00 0.00 82 G 7.43 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.41 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.98 4.72 0.00 2.54 2.54 0.00 0.00 6.72 7.54 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 85 Y 8.26 5.00 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 86 Q 9.17 4.08 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 87 V 8.43 4.25 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 0.30 0.00 0.00 0.68 0.00 0.00 88 P 0.00 4.83 0.00 2.23 2.29 0.00 4.32 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 89 M 8.27 4.59 0.00 2.35 2.07 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 90 E 9.14 3.86 0.00 2.01 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 2.37 0.00 91 V 8.30 4.46 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 0.94 0.00 0.00 1.08 0.00 0.00 92 S 8.19 4.87 0.00 4.01 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 93 P 0.00 4.30 0.00 2.29 2.36 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 94 R 8.00 3.81 0.00 1.81 2.05 0.00 3.28 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 1.64 1.80 0.00 95 R 7.87 4.21 0.00 1.93 1.92 0.00 3.28 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 96 Q 7.79 4.00 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 97 Q 7.68 3.95 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.71 2.42 0.00 98 S 7.94 4.26 0.00 3.91 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 99 L 8.69 4.09 0.00 1.75 1.85 0.98 1.09 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 0.00 100 A 8.28 4.29 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 0.00 101 L 7.65 4.11 0.00 1.21 0.13 1.04 0.40 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 0.00 102 R 8.45 3.71 0.00 1.84 1.81 0.00 2.62 0.00 0.00 2.80 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 0.00 103 W 8.47 4.38 0.00 3.37 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 0.00 104 L 7.23 3.99 0.00 1.49 1.83 0.36 0.83 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 0.00 105 V 8.27 3.78 2.22 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 0.97 0.00 0.00 1.34 0.00 0.00 106 Q 8.07 4.18 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 107 A 8.54 4.54 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.36 4.67 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 0.00 109 N 7.32 4.88 0.00 2.74 2.71 0.00 0.00 6.92 6.97 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 0.00 110 Q 7.69 4.39 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 111 R 7.77 4.69 0.00 1.82 1.77 0.00 3.17 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 112 P 0.00 5.01 0.00 2.18 2.14 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 113 E 7.48 4.81 0.00 1.96 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 114 R 8.21 4.63 0.00 1.75 1.69 0.00 3.24 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 115 R 8.65 4.02 0.00 1.89 1.90 0.00 3.20 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 116 A 8.72 3.92 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 0.00 117 A 7.91 4.28 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 0.00 118 V 7.76 3.51 2.18 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 1.10 0.00 0.00 0.92 0.00 0.00 119 R 7.76 3.93 0.00 1.98 2.00 0.00 3.25 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 120 I 8.42 3.75 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.07 0.82 0.00 0.00 121 A 7.88 4.21 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 0.00 122 H 8.13 4.46 0.00 3.32 3.32 0.00 5.62 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 0.00 123 E 8.17 4.65 0.00 2.29 1.93 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 2.35 2.27 0.00 124 L 8.73 3.91 0.00 1.61 1.72 0.93 -0.14 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 0.00 125 M 7.99 4.17 0.00 2.06 2.07 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 2.67 2.57 0.00 126 D 7.98 4.86 0.00 3.02 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 0.00 127 A 7.94 4.74 1.27 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 0.00 128 A 7.66 4.57 1.14 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 0.00 0.00 129 E 8.52 3.81 0.00 1.95 1.89 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 2.30 2.25 0.00 130 G 6.66 4.96 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 0.00 0.00 0.00 131 K 7.65 4.51 0.00 1.81 1.77 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.26 1.37 7.81 132 G 8.11 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 0.00 133 G 8.86 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.07 4.17 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 0.00 135 V 8.43 3.37 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 0.99 0.00 0.00 0.79 0.00 0.00 136 K 8.23 3.78 0.00 1.93 1.74 0.00 1.99 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.60 7.81 137 K 8.68 4.91 0.00 2.77 2.26 0.00 2.04 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.55 7.81 138 K 8.11 3.63 0.00 0.79 1.44 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.05 7.81 139 E 8.45 4.78 0.00 2.10 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 2.26 2.24 0.00 140 D 7.85 4.36 0.00 2.99 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 0.00 141 V 7.90 3.69 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 1.16 0.00 0.00 1.31 0.00 0.00 142 E 8.07 4.08 0.00 2.22 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 2.65 0.00 143 R 7.93 4.13 0.00 1.97 1.99 0.00 3.16 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 144 M 7.58 4.47 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.93 0.00 145 A 7.48 4.59 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 146 E 9.46 3.64 0.00 2.10 1.71 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 2.26 2.19 0.00 147 A 8.91 4.51 1.18 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 0.00 0.00 148 N 8.22 4.26 0.00 2.72 2.81 0.00 0.00 6.69 7.41 0.00 0.00 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 R 7.68 3.78 0.00 1.79 1.96 0.00 3.19 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 150 A 7.32 4.03 1.13 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 0.00 0.00 151 Y 7.28 4.66 0.00 3.33 2.89 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 0.00 152 A 7.53 4.51 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 0.00 153 H 8.47 4.22 0.00 3.26 3.38 0.00 5.53 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.32 4.27 0.00 2.58 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 0.00 0.00 0.00 155 R 8.24 4.44 0.00 1.80 2.01 0.00 3.39 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 156 W 7.93 3.98 0.00 3.59 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