NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4299 8.3044 118.1949 55.0976 32.5377 174.3794 1 V 4.2062 7.9634 119.1317 60.6843 34.1536 173.6519 2 L 4.2965 8.3317 127.7481 54.0863 43.5310 176.9637 3 S 4.5638 8.5492 117.4831 57.5665 65.4184 175.1483 4 E 4.2860 8.8212 122.6086 59.5357 29.3641 178.9970 5 G 3.6715 8.1502 105.2556 47.9137 0.0000 175.3376 6 E 3.9133 8.0021 120.5963 58.9887 29.4510 179.4500 7 W 4.3621 8.1040 118.9950 59.8580 29.0566 178.5699 8 Q 4.1362 8.5843 118.2799 59.1262 28.2707 178.8797 9 L 4.1061 7.9970 119.8623 57.7085 41.5854 179.8201 10 V 3.8266 7.8405 118.2530 65.6867 31.6261 177.5876 11 L 4.4833 8.6572 117.7416 56.3828 41.4118 178.5393 12 H 4.3553 8.3605 119.5495 59.1049 29.9795 177.3800 13 V 3.7587 7.9061 120.2124 64.0673 31.4200 178.1448 14 W 3.9720 8.5326 129.2518 60.1052 30.2710 177.7610 15 A 4.0258 7.9297 120.1204 54.6197 18.0439 179.5256 16 K 3.9370 7.3450 117.6621 59.3862 32.2434 179.3749 17 V 2.8664 7.0796 118.4197 65.9564 31.0243 177.6951 18 E 3.8808 7.4565 115.4677 58.1396 29.2687 178.5791 19 A 4.1926 7.4601 120.4770 53.6674 19.6798 177.4167 20 D 4.6375 7.9167 116.7332 51.7183 41.9438 175.5287 21 V 3.4569 7.8926 123.1362 65.5769 32.0963 176.7703 22 A 4.0345 7.9631 120.0800 55.1143 18.3435 179.6058 23 G 3.6075 8.1615 105.5553 47.7043 0.0000 175.6141 24 H 4.1348 8.2648 118.9693 58.3142 28.7355 177.8813 25 G 3.7400 8.2516 107.8128 48.1633 0.0000 175.3086 26 Q 3.8573 8.0957 120.6654 58.6625 28.7152 178.4162 27 D 4.3451 7.9747 119.4638 57.8371 40.9250 179.2324 28 I 3.6268 7.7448 119.5257 64.7265 37.1338 178.4614 29 L 3.4207 7.6190 119.2140 57.5667 41.3693 179.7734 30 I 3.6810 7.5860 119.6153 64.4532 37.0315 178.3347 31 R 3.8954 7.9861 119.5595 59.3621 29.6730 178.3328 32 L 3.9263 7.7774 120.1504 58.1826 41.6654 179.0041 33 F 4.5903 8.0258 118.0849 60.4135 38.5800 178.0294 34 K 4.0268 8.5202 117.8859 59.5836 31.9730 179.3564 35 S 4.2720 8.2001 114.6651 60.3869 64.0721 174.5075 36 H 4.7138 8.2560 119.3785 51.9308 29.1341 171.8593 37 P 4.5747 0.0000 0.0000 64.5990 31.3000 177.4856 38 E 4.9460 8.5035 117.5116 59.0682 29.3882 179.1374 39 T 3.8528 8.3943 111.2073 64.2974 68.8514 176.3386 40 L 3.7131 7.9399 123.5144 57.9842 41.9668 178.6975 41 E 4.1068 8.1241 118.6298 59.0873 29.0978 179.2901 42 K 4.3212 8.1943 117.7824 57.6137 32.3369 176.9189 43 F 4.3658 8.2006 118.8351 56.0786 38.3057 176.2623 44 D 4.4218 8.4460 126.3537 56.1913 40.9097 177.7263 45 R 4.1002 7.5336 117.7263 56.9298 30.6656 176.4000 46 F 5.1007 7.5249 115.0754 58.1123 41.4812 178.3084 47 K 4.4036 7.9201 121.4813 59.4895 32.7666 176.7119 48 H 4.3392 8.2520 112.2902 57.3966 28.7853 175.5212 49 L 4.0116 7.3204 121.3126 55.2212 41.6349 176.9908 50 K 4.2777 9.6279 123.7385 57.4186 33.2832 176.8913 51 T 4.7311 7.2902 107.6474 58.9055 73.3192 174.2293 52 E 3.9254 8.6123 120.4815 59.1494 29.6898 178.4822 53 A 4.0084 7.9045 120.6430 55.0904 18.2995 179.2294 54 E 3.9266 7.9259 116.1451 59.7425 29.8523 179.1548 55 M 4.1364 8.1292 118.6705 58.4771 31.8496 179.0349 56 K 3.9596 8.3478 117.3501 58.7996 32.2718 178.3138 57 A 4.5101 7.4489 118.1005 51.2460 19.2905 176.9582 58 S 4.2447 7.4719 114.0339 57.3935 62.9043 174.3754 59 E 3.9386 8.9487 129.0477 59.3508 29.4882 178.0032 60 D 4.4890 8.2085 118.5238 57.6603 40.9907 178.4975 61 L 3.1186 7.8198 120.4557 57.8598 41.8023 178.9761 62 K 3.9192 7.7815 119.6609 59.1603 32.1117 179.0716 63 K 4.0166 8.1993 119.1168 59.7225 31.9282 178.8428 64 H 4.3901 8.5252 118.7598 59.0635 29.7942 177.5321 65 G 3.5700 8.2873 107.8553 47.5760 0.0000 175.9583 66 V 3.5934 7.5574 120.1835 66.0694 31.5933 177.9572 67 T 3.8786 7.8383 115.5695 66.7376 68.3526 175.8633 68 L 3.9577 7.9560 121.8539 58.5237 42.0220 179.1914 69 L 4.2037 8.1057 118.6409 57.9134 41.5355 179.5117 70 T 3.9361 8.3261 115.8986 66.7606 68.3380 176.3364 71 A 4.0224 7.9899 122.4823 55.0632 18.3712 179.5016 72 L 3.7391 8.2001 118.9597 58.0953 42.2094 179.2607 73 G 3.4855 8.5016 105.8069 47.9118 0.0000 175.4991 74 A 4.0663 7.8615 121.8713 54.5930 18.6482 179.4969 75 I 3.8638 7.2990 118.8878 64.3464 37.2519 178.5128 76 L 3.9643 7.7412 119.9049 57.6252 41.2044 179.6341 77 K 3.9388 7.7171 117.0936 58.7727 32.1627 179.1497 78 K 3.9209 7.9032 118.6608 56.6928 31.8913 177.1101 79 K 2.0000 8.2624 117.4354 56.6851 29.8120 175.9129 80 G 4.0749 8.1233 107.2156 46.0742 0.0000 175.0024 81 H 4.6363 7.6068 118.9913 54.7642 27.2453 174.6097 82 H 5.0955 7.2263 112.0823 54.1108 29.5142 176.4053 83 E 3.9739 8.5738 121.4745 60.2283 28.9686 179.2277 84 A 4.0286 7.8853 118.2817 55.2540 18.8884 178.9270 85 E 4.0734 8.2085 116.6699 59.6090 29.5038 179.2807 86 L 4.0038 8.1936 120.1967 57.9635 42.0545 178.5682 87 K 3.9305 7.8460 118.5679 59.2273 32.0358 177.2571 88 P 4.2931 0.0000 0.0000 65.8110 31.2018 178.2458 89 L 4.0288 7.5137 117.5775 57.9596 41.9735 178.7293 90 A 4.1992 8.4533 121.2541 55.2122 18.2850 179.4203 91 Q 3.8955 8.3817 118.4938 59.2561 29.0634 178.5553 92 S 4.0485 8.1622 115.3621 61.5639 63.1822 176.1737 93 H 4.1462 8.5696 119.5753 58.2298 28.2866 177.5009 94 A 2.8214 8.1175 122.1710 54.0054 18.3168 178.7896 95 T 3.9995 7.5228 112.5930 64.5358 69.7726 176.1714 96 K 4.0155 7.4748 120.2468 59.1898 32.7830 177.3788 97 H 4.2844 7.9767 114.9334 56.6969 29.2413 174.7923 98 K 3.3076 7.5968 117.3042 56.5237 27.8613 174.3718 99 I 4.4055 8.1719 119.2650 58.3293 38.8969 174.6292 100 P 4.5227 0.0000 0.0000 62.4218 32.1740 177.2711 101 I 3.6399 8.0359 121.8802 64.7652 36.9981 178.4074 102 K 3.7684 8.0257 119.6312 60.0531 31.7795 178.1389 103 Y 4.1292 7.9961 116.7532 60.9748 37.8452 178.2858 104 L 4.2439 7.9468 119.4163 57.5426 41.6981 179.3092 105 E 4.0269 7.9596 118.7375 59.3449 29.5420 179.0742 106 F 4.4922 7.8689 117.8854 60.8774 38.9323 177.5319 107 I 3.9692 8.1695 117.5264 63.5305 37.7542 178.1013 108 S 4.2031 7.9916 116.1377 61.5886 62.6814 176.0270 109 E 4.0344 8.4440 121.9585 59.1936 29.3581 178.7594 110 A 4.0584 8.0143 120.6798 55.0523 18.3847 179.7044 111 I 3.6914 8.1483 118.6485 64.7597 37.2709 178.8115 112 I 3.8346 7.8920 120.6389 64.3690 36.7989 178.0605 113 H 4.0898 8.4412 119.2507 59.2990 29.8097 177.4601 114 V 3.5304 7.9370 120.0171 66.0320 31.3697 177.9597 115 L 3.8250 7.8929 118.7229 57.7889 41.0565 178.8666 116 H 4.3316 7.8065 117.0893 59.6027 29.9127 177.1825 117 S 4.1941 7.9381 115.5761 61.5684 62.7035 176.5531 118 R 4.0131 7.7804 119.5382 57.8508 31.5189 177.0844 119 H 5.0052 7.8352 115.0358 53.9563 28.6385 173.3628 120 P 4.3180 0.0000 0.0000 65.2596 32.0544 179.1905 121 G 3.8547 8.0573 106.0842 46.7430 0.0000 173.6910 122 N 5.0894 8.4459 115.7721 52.9089 39.7428 174.3220 123 F 4.9518 7.9073 119.3624 56.8291 39.6938 174.7228 124 G 3.8728 7.8405 107.8175 43.7703 0.0000 172.6437 125 A 3.8881 8.4990 120.7711 55.5769 18.0742 179.6492 126 D 4.1799 7.9197 116.3365 57.4044 40.9993 178.7247 127 A 3.9735 7.7482 120.7823 54.9296 18.3066 179.3267 128 Q 3.1479 7.9288 118.8227 58.8415 28.9400 178.5073 129 G 3.4806 8.2363 106.9379 47.5104 0.0000 175.6603 130 A 3.8490 7.9318 123.1095 55.0450 18.3304 179.3365 131 M 3.9648 8.2016 116.9297 58.8113 32.2769 177.8826 132 N 4.2861 8.4424 117.4658 56.6071 39.1258 176.6064 133 K 3.8086 8.2560 121.0979 59.5338 32.2494 178.6305 134 A 3.8441 8.0715 121.3128 55.0538 18.1960 179.6147 135 L 4.1352 8.2800 117.7325 57.7221 41.6334 179.4515 136 E 3.9778 8.5903 119.2112 59.2232 29.3301 178.8109 137 L 3.9304 8.1330 120.4071 58.0129 42.1839 178.4100 138 F 4.0965 8.4465 120.4285 61.8251 39.2096 177.6719 139 R 3.5137 8.2395 117.3068 58.8601 29.8026 179.0615 140 K 3.8334 8.2368 119.6578 59.5921 32.2571 178.7116 141 D 4.3012 8.1196 119.1753 57.2908 40.6458 178.7751 142 I 3.3518 7.7036 120.4515 64.2323 37.0128 178.1583 143 A 3.8803 8.1105 122.8857 54.5358 18.2377 179.5940 144 A 3.9830 7.9687 119.0564 55.1103 18.4109 180.0771 145 K 4.0198 7.9319 117.2102 59.5241 32.0504 178.9327 146 Y 4.4459 8.3128 117.5166 61.2303 37.9848 178.6808 147 K 3.9020 8.1621 120.1865 59.8954 32.0940 178.6727 148 E 4.0804 7.9808 116.6358 58.8629 29.4200 178.5763 149 L 4.3691 7.8068 117.4848 55.1468 41.9691 177.6266 150 G 4.0845 7.9025 107.0749 45.4319 0.0000 173.1002 151 Y 4.3644 8.0789 120.6260 59.4538 40.4153 177.1856 152 Q 3.1393 7.3009 114.8022 57.1068 25.5225 175.0872 153 G 2.8891 6.8200 114.3662 45.0989 0.0000 171.5158 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 0 M 8.30 4.43 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.96 4.21 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.33 4.30 0.00 1.12 0.71 0.57 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.55 4.56 0.00 4.08 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 4 E 8.82 4.29 0.00 2.20 2.06 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 2.43 2.52 0.00 5 G 8.15 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 0.00 0.00 0.00 6 E 8.00 3.91 0.00 1.88 1.72 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 2.22 2.26 0.00 7 W 8.10 4.36 0.00 3.53 3.15 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 8 Q 8.58 4.14 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 9 L 8.00 4.11 0.00 1.89 1.75 0.89 0.85 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 10 V 7.84 3.83 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 1.19 0.00 0.00 0.92 0.00 0.00 11 L 8.66 4.48 0.00 1.82 1.80 0.94 0.97 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 12 H 8.36 4.36 0.00 3.40 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.91 3.76 2.43 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 1.05 0.00 0.00 0.89 0.00 0.00 14 W 8.53 3.97 0.00 3.63 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 15 A 7.93 4.03 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 16 K 7.34 3.94 0.00 1.55 1.68 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.68 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.43 7.81 17 V 7.08 2.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.48 0.00 0.00 18 E 7.46 3.88 0.00 1.85 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 2.10 2.05 0.00 19 A 7.46 4.19 1.29 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 0.00 0.00 0.00 20 D 7.92 4.64 0.00 2.70 2.52 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 0.00 0.00 0.00 21 V 7.89 3.46 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 1.05 0.00 0.00 0.83 0.00 0.00 22 A 7.96 4.03 1.30 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 0.00 0.00 0.00 23 G 8.16 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 24 H 8.26 4.13 0.00 3.12 3.25 0.00 5.84 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 25 G 8.25 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.10 3.86 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 27 D 7.97 4.35 0.00 2.85 2.69 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 0.00 0.00 0.00 0.00 28 I 7.74 3.63 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.89 0.00 0.00 29 L 7.62 3.42 0.00 1.43 1.07 0.83 0.55 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 30 I 7.59 3.68 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.89 0.00 0.00 31 R 7.99 3.90 0.00 1.95 2.14 0.00 3.00 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 32 L 7.78 3.93 0.00 1.68 1.44 1.05 0.85 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 33 F 8.03 4.59 0.00 3.11 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 34 K 8.52 4.03 0.00 1.63 1.84 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.76 7.81 35 S 8.20 4.27 0.00 3.75 3.56 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 36 H 8.26 4.71 0.00 2.88 2.86 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.57 0.00 2.15 2.10 0.00 3.82 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 2.09 1.99 0.00 38 E 8.50 4.95 0.00 2.30 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 0.00 2.32 2.39 0.00 39 T 8.39 3.85 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 0.74 0.00 0.00 40 L 7.94 3.71 0.00 1.41 1.74 0.11 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.12 4.11 0.00 2.29 2.06 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 2.37 2.39 0.00 42 K 8.19 4.32 0.00 1.92 1.76 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.73 2.02 7.81 43 F 8.20 4.37 0.00 3.29 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 44 D 8.45 4.42 0.00 2.59 2.68 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 0.00 0.00 0.00 0.00 45 R 7.53 4.10 0.00 1.47 1.18 0.00 3.10 0.00 0.00 3.04 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.49 0.00 46 F 7.52 5.10 0.00 2.85 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 47 K 7.92 4.40 0.00 1.87 1.83 0.00 1.80 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.52 7.81 48 H 8.25 4.34 0.00 3.32 3.46 0.00 5.59 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.32 4.01 0.00 1.53 1.57 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.63 4.28 0.00 1.68 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.51 7.81 51 T 7.29 4.73 4.22 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 1.20 0.00 0.00 52 E 8.61 3.93 0.00 2.04 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 2.35 2.36 0.00 53 A 7.90 4.01 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 54 E 7.93 3.93 0.00 2.10 1.99 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 2.34 2.34 0.00 55 M 8.13 4.14 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 56 K 8.35 3.96 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.45 4.51 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 58 S 7.47 4.24 0.00 3.88 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 59 E 8.95 3.94 0.00 2.13 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 2.39 2.48 0.00 60 D 8.21 4.49 0.00 3.05 3.24 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 61 L 7.82 3.12 0.00 1.03 1.53 0.74 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.78 3.92 0.00 1.76 1.96 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 63 K 8.20 4.02 0.00 2.08 1.91 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.77 7.81 64 H 8.53 4.39 0.00 3.70 3.58 0.00 5.79 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 65 G 8.29 3.57 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 0.00 0.00 0.00 66 V 7.56 3.59 2.25 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 1.12 0.00 0.00 0.92 0.00 0.00 67 T 7.84 3.88 4.37 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 1.28 0.00 0.00 68 L 7.96 3.96 0.00 1.84 1.87 1.07 0.67 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 69 L 8.11 4.20 0.00 1.79 1.83 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.33 3.94 4.42 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 1.25 0.00 0.00 71 A 7.99 4.02 1.40 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 0.00 0.00 0.00 72 L 8.20 3.74 0.00 1.70 1.66 0.33 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.50 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 0.00 0.00 0.00 74 A 7.86 4.07 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 75 I 7.30 3.86 1.85 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 1.54 0.95 0.87 0.00 0.00 76 L 7.74 3.96 0.00 1.23 1.53 -0.22 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.72 3.94 0.00 1.66 1.81 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.51 7.81 78 K 7.90 3.92 0.00 1.91 1.74 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.78 7.81 79 K 8.26 2.00 0.00 1.32 0.74 0.00 1.48 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.76 7.81 80 G 8.12 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 81 H 7.61 4.64 0.00 3.16 3.23 0.00 5.80 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 82 H 7.23 5.10 0.00 3.32 3.45 0.00 5.68 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 83 E 8.57 3.97 0.00 2.09 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 2.43 2.50 0.00 84 A 7.89 4.03 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 85 E 8.21 4.07 0.00 2.27 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 2.41 2.45 0.00 86 L 8.19 4.00 0.00 2.00 1.68 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.85 3.93 0.00 2.02 1.84 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.62 7.81 88 P 0.00 4.29 0.00 2.30 2.34 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 89 L 7.51 4.03 0.00 1.92 1.93 0.97 1.22 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 90 A 8.45 4.20 1.47 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 0.00 0.00 0.00 91 Q 8.38 3.90 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 92 S 8.16 4.05 0.00 3.99 4.10 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 93 H 8.57 4.15 0.00 3.61 3.62 0.00 5.80 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 94 A 8.12 2.82 0.77 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 0.00 0.00 95 T 7.52 4.00 4.19 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 1.11 0.00 0.00 96 K 7.47 4.02 0.00 1.54 1.52 0.00 1.71 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.36 7.81 97 H 7.98 4.28 0.00 3.01 3.14 0.00 5.81 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 98 K 7.60 3.31 0.00 1.81 1.85 0.00 1.46 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.24 7.81 99 I 8.17 4.41 2.13 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.01 1.17 0.00 0.00 100 P 0.00 4.52 0.00 1.88 2.02 0.00 3.21 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.52 0.00 101 I 8.04 3.64 1.81 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.31 0.83 0.00 0.00 102 K 8.03 3.77 0.00 1.71 1.64 0.00 1.06 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 0.80 7.81 103 Y 8.00 4.13 0.00 3.25 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 0.00 104 L 7.95 4.24 0.00 1.85 1.81 0.76 1.17 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 0.00 105 E 7.96 4.03 0.00 2.11 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 2.33 2.31 0.00 106 F 7.87 4.49 0.00 3.20 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 0.00 107 I 8.17 3.97 2.02 0.00 0.00 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 1.59 1.66 1.14 0.00 0.00 108 S 7.99 4.20 0.00 4.23 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 0.00 109 E 8.44 4.03 0.00 2.18 2.29 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 2.38 2.41 0.00 110 A 8.01 4.06 1.40 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 0.00 0.00 0.00 111 I 8.15 3.69 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.61 1.03 0.00 0.00 112 I 7.89 3.83 2.11 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 1.70 1.08 1.12 0.00 0.00 113 H 8.44 4.09 0.00 3.40 3.51 0.00 5.79 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 0.00 114 V 7.94 3.53 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 0.92 0.00 0.00 1.00 0.00 0.00 115 L 7.89 3.83 0.00 0.40 0.65 0.70 0.72 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 0.00 116 H 7.81 4.33 0.00 3.46 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.94 4.19 0.00 3.79 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 0.00 118 R 7.78 4.01 0.00 1.47 1.53 0.00 2.79 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 119 H 7.84 5.01 0.00 3.24 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.32 0.00 2.21 2.24 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.06 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 0.00 0.00 0.00 122 N 8.45 5.09 0.00 2.77 2.91 0.00 0.00 6.64 6.96 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 0.00 123 F 7.91 4.95 0.00 3.00 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 0.00 124 G 7.84 3.87 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 0.00 0.00 0.00 125 A 8.50 3.89 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 0.00 126 D 7.92 4.18 0.00 2.65 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 0.00 127 A 7.75 3.97 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 Q 7.93 3.15 0.00 1.15 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 129 G 8.24 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.93 3.85 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 0.00 131 M 8.20 3.96 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.92 0.00 132 N 8.44 4.29 0.00 2.92 2.97 0.00 0.00 6.88 7.33 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 0.00 133 K 8.26 3.81 0.00 1.93 1.68 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 8.07 3.84 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 0.00 135 L 8.28 4.14 0.00 1.76 1.82 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.59 3.98 0.00 2.13 1.99 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 2.34 2.67 0.00 137 L 8.13 3.93 0.00 1.88 1.97 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.45 4.10 0.00 3.10 3.26 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 0.00 139 R 8.24 3.51 0.00 2.09 1.86 0.00 3.17 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 140 K 8.24 3.83 0.00 1.77 1.96 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 8.12 4.30 0.00 2.76 2.69 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 0.00 0.00 0.00 0.00 142 I 7.70 3.35 1.23 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.06 0.00 0.00 143 A 8.11 3.88 1.29 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 0.00 0.00 0.00 144 A 7.97 3.98 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 0.00 145 K 7.93 4.02 0.00 2.03 1.92 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 146 Y 8.31 4.45 0.00 3.35 3.11 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 0.00 147 K 8.16 3.90 0.00 1.95 2.03 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 7.98 4.08 0.00 2.16 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 2.58 0.00 149 L 7.81 4.37 0.00 1.83 1.71 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.90 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 0.00 151 Y 8.08 4.36 0.00 2.43 2.64 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 0.00 152 Q 7.30 3.14 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.64 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 153 G 6.82 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 0.00 0.00 0.00