NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1758 8.3044 118.1930 53.3605 33.1828 173.6081 2 L 3.1826 8.0780 121.5212 53.6680 39.9486 172.3863 3 T 3.8914 8.4996 116.5273 63.6775 69.8958 173.1795 4 D 4.8849 7.6761 121.1835 50.7290 43.7718 174.7421 5 P 4.2548 0.0000 0.0000 65.7772 31.6012 178.3073 6 I 3.6640 7.9167 117.9309 64.7865 37.0544 177.8127 7 A 3.9353 9.9425 121.3115 55.4981 18.1258 178.4620 8 D 4.2071 7.6176 114.6718 58.1877 41.1394 178.1380 9 M 4.1197 8.2392 117.7855 59.0450 32.2919 178.1786 10 L 3.8874 7.9594 118.5990 58.4707 41.8591 180.0218 11 T 3.8334 8.3628 115.4580 66.4105 68.2834 176.7700 12 R 3.8618 8.4640 120.5599 59.8591 30.2157 178.0318 13 I 3.7124 8.2424 119.5556 64.2699 37.2113 177.9109 14 R 3.7569 7.9254 119.1221 60.0501 29.6958 178.4349 15 N 4.3370 8.4941 114.2297 55.9861 38.6424 177.0861 16 A 4.1220 8.0988 123.0444 55.2248 18.5835 179.6089 17 T 4.0041 7.9172 107.3615 65.1192 68.2621 176.3853 18 R 3.7653 7.6556 119.6152 58.0626 30.0642 178.2025 19 V 4.2368 7.3582 109.4345 59.1396 32.1595 172.9817 20 Y 3.5531 7.0758 120.8970 57.8676 36.2422 169.4634 21 K 4.5861 9.2114 124.6393 54.0833 35.3964 175.0729 22 E 3.7814 8.1035 123.0207 58.2757 30.1121 176.0780 23 S 4.9453 7.3257 111.3986 58.0882 65.5806 174.8420 24 T 4.6106 8.1880 118.2197 62.3796 71.6456 173.0180 25 D 5.8500 8.5017 122.6012 52.5886 44.0263 176.0889 26 V 4.5608 8.0861 116.3611 60.0321 34.3778 171.3823 27 P 3.8814 0.0000 0.0000 62.4781 31.7051 176.0368 28 A 4.0257 8.4312 126.4380 52.6711 19.3396 177.3096 29 S 4.2298 8.5913 110.9729 56.4127 65.3057 175.6109 30 R 3.8379 8.6507 128.5424 60.0279 29.4888 177.4821 31 F 4.1393 8.2532 118.7187 61.3460 39.6271 176.7204 32 K 3.9044 8.0701 117.3353 59.6162 31.8045 178.5296 33 E 3.3989 8.0885 118.3750 59.7970 28.9708 179.4112 34 E 3.5193 7.9369 118.1541 59.5945 29.4346 180.0499 35 I 3.4711 7.3436 119.5650 64.2188 37.3615 178.2320 36 L 3.9365 7.5999 119.2260 57.8719 41.4974 179.1197 37 R 4.2275 8.5650 119.3510 60.0256 29.6066 178.2988 38 I 3.9884 7.3205 118.6043 63.6007 37.2372 178.3465 39 L 4.2083 8.0025 119.9602 57.7411 41.0402 179.4007 40 A 4.2557 8.6569 122.2253 54.6834 18.3465 179.4355 41 R 3.9991 7.6798 114.5093 58.2399 30.2709 176.3382 42 E 4.4989 7.1776 114.9304 55.9406 31.2951 175.5576 43 G 3.7703 9.1578 106.7704 47.0409 0.0000 174.9014 44 F 4.8383 8.2692 117.6624 57.5339 40.6245 176.5785 45 I 4.7391 7.3845 112.6452 59.1918 40.4933 176.1320 46 K 3.9887 8.9226 124.3860 58.2435 32.5487 177.1913 47 G 4.2243 7.3787 103.9903 46.7149 0.0000 170.3605 48 Y 6.2610 8.3839 116.6248 54.6535 41.6184 174.5236 49 E 4.7580 8.5610 116.4492 55.0917 33.2346 174.5073 50 R 4.6157 8.9003 121.9442 57.0192 30.3781 175.9031 51 V 4.5800 7.7932 121.7736 60.9600 34.7561 175.0515 52 D 4.9499 8.4647 118.7370 54.8740 44.8468 175.1644 53 V 4.2391 9.1072 121.4428 63.1666 33.0541 173.4220 54 D 4.5203 10.0219 127.4828 55.4260 38.3906 173.8286 55 G 4.1238 8.5977 108.3066 45.8084 0.0000 174.9699 56 K 3.9652 8.2477 120.2483 55.6746 32.1680 174.2886 57 P 5.1072 0.0000 0.0000 62.4468 32.1948 174.6424 58 Y 4.5996 8.2523 124.8212 56.7405 41.7272 174.2988 59 L 5.0029 8.3088 120.2526 54.5747 46.5200 175.8764 60 R 4.2754 9.3409 125.1505 55.4586 30.7221 176.3082 61 V 4.4641 8.1217 126.2221 61.4280 31.5738 174.7100 62 Y 4.4166 9.0585 126.9994 57.7330 38.5008 175.8376 63 L 4.5636 8.6383 124.7646 54.3405 43.0249 176.4951 64 K 4.8838 8.3941 121.5200 55.1057 35.2202 174.4610 65 Y 5.0616 8.9751 123.2933 55.9945 42.4310 174.8905 66 G 4.1528 9.0378 109.5576 45.1019 0.0000 171.5100 67 P 4.7213 0.0000 0.0000 61.7592 33.2882 176.1196 68 R 4.0296 8.2004 120.7840 57.3808 30.4497 174.2833 69 R 4.5776 8.0668 116.7029 55.9213 34.4746 174.6731 70 Q 4.2621 8.4985 119.0113 56.2305 30.9265 175.8353 71 G 3.7562 8.6188 106.9342 45.9801 0.0000 170.9678 72 P 4.2134 0.0000 0.0000 63.8141 32.1906 175.2767 73 D 4.3286 8.5710 120.2840 54.7243 38.3692 172.1073 74 P 4.5046 0.0000 0.0000 62.7991 31.7001 177.1822 75 R 4.0487 7.8685 119.0353 55.6441 30.3065 175.0951 76 P 4.6143 0.0000 0.0000 62.3605 32.4478 175.5759 77 E 4.5110 8.6295 121.7101 55.9894 31.9539 174.6843 78 Q 4.9433 8.2618 117.7115 53.8912 32.3844 177.4580 79 V 3.6026 8.0869 121.5654 65.0841 31.7584 176.1356 80 I 4.4244 6.6662 117.9945 59.5029 36.9256 175.0760 81 H 4.2638 8.6742 122.0875 58.4431 29.2622 175.6490 82 H 4.4308 7.8089 118.2763 54.5980 33.3987 172.2213 83 I 5.0769 7.4720 123.5757 58.6893 38.0389 174.1148 84 R 4.0671 7.8317 127.8037 55.3982 32.2570 174.3287 85 R 4.7196 8.1505 121.6399 53.3074 31.9722 174.7238 86 I 4.6158 8.5301 135.0000 60.9517 38.1397 179.2684 87 S 3.7869 8.2838 129.0851 58.6610 62.3294 172.4209 88 K 4.5302 8.5369 126.4712 53.4317 34.8648 175.4246 89 P 4.2274 0.0000 0.0000 65.4959 31.1393 177.4410 90 G 3.9157 7.7336 105.2758 45.0298 0.0000 173.9161 91 R 4.5168 7.3949 114.6305 55.1560 32.3841 174.1348 92 R 3.8944 7.9345 119.1350 55.5013 31.2447 176.8615 93 V 4.0960 7.5294 118.7723 61.5883 34.0395 173.5791 94 Y 5.2726 8.2722 125.2620 56.7048 39.7271 175.9184 95 V 4.7243 8.5489 114.6796 59.8254 36.6425 175.5043 96 G 3.8068 9.7008 114.3140 44.6186 0.0000 174.8336 97 V 4.2243 8.4904 118.8296 64.1364 30.9633 178.2149 98 K 4.3976 8.0463 115.4752 56.9277 31.7348 176.9005 99 E 4.5716 8.3131 118.2588 55.9288 31.5544 176.4711 100 I 3.6012 7.1856 118.2271 61.3415 37.3933 174.2538 101 P 4.4602 0.0000 0.0000 62.2964 32.0118 176.1261 102 R 4.3808 8.1417 118.4593 54.4280 30.5926 176.1104 103 V 3.6904 8.1914 124.0018 62.9648 32.3667 176.0745 104 R 3.4929 8.5985 128.1891 58.5897 27.9265 176.0705 105 R 3.7997 8.5588 111.0051 56.0781 28.5636 177.1953 106 G 4.3779 7.7423 116.1072 46.6951 0.0000 174.8087 107 L 4.0868 7.7685 120.8410 57.7326 41.7523 178.1037 108 G 4.0167 7.8368 104.6187 46.3255 0.0000 173.0869 109 I 4.5818 8.9779 122.6501 59.5190 40.7930 174.8607 110 A 5.3047 8.0281 122.5818 51.9373 20.6957 175.6786 111 I 4.2660 8.1734 122.1287 62.0229 38.9981 174.9204 112 L 4.8235 8.4816 122.4051 55.1265 44.1579 173.3103 113 S 5.1832 8.7622 117.3953 57.4631 64.0853 172.9703 114 T 5.1931 8.2312 116.4465 59.4135 71.9461 174.0128 115 S 4.4771 8.7643 113.2641 59.1678 63.1730 174.2384 116 K 4.5095 7.7247 120.3498 56.1159 32.6636 176.7890 117 G 3.9364 8.0887 108.1116 44.2596 0.0000 172.8518 118 V 4.1021 8.2049 118.8570 63.0617 32.0089 174.8430 119 L 5.0721 8.8861 127.5254 53.3902 46.5256 175.0826 120 T 5.0894 8.1059 110.0599 59.8659 71.0915 175.0865 121 D 4.3216 8.4928 119.3197 56.1859 39.3914 178.5549 122 R 4.2545 7.9770 117.9669 58.1838 31.0883 177.9789 123 E 4.0381 8.1226 117.3476 59.5308 29.4525 179.0355 124 A 3.9798 8.1675 120.6351 55.7164 18.3126 179.0895 125 R 3.7812 8.1603 116.3177 59.2590 29.8173 177.9841 126 K 4.0721 9.1988 120.3013 59.8211 32.4414 178.3330 127 L 4.0801 8.3249 118.6557 55.8305 42.6465 176.1535 128 G 3.7053 9.1757 106.8433 46.6614 0.0000 172.0682 129 V 4.5328 7.4829 111.5231 60.7749 36.6613 175.7276 130 G 4.2943 7.9414 106.3858 46.4862 0.0000 173.3853 131 G 4.1541 7.6853 103.2029 46.4570 0.0000 172.5964 132 E 4.3496 8.5343 123.0250 55.6559 29.5775 176.4013 133 L 3.8997 8.6139 129.6704 55.9111 42.6571 177.4368 134 I 4.0069 8.6088 128.5461 63.5736 38.7938 175.6680 135 C 5.2278 7.3797 115.1461 58.0343 33.4429 172.3289 136 E 5.2494 7.8459 116.3429 54.8664 32.6739 175.1286 137 V 4.6690 8.1491 119.5747 61.5493 35.8502 174.3026 138 W 4.6319 8.3143 122.5080 57.3954 28.3769 174.0424 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 4.18 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 2 L 8.08 3.18 0.00 1.82 1.69 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.50 3.89 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 4 D 7.68 4.88 0.00 2.64 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 5 P 0.00 4.25 0.00 2.21 2.05 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 6 I 7.92 3.66 2.02 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 1.94 0.78 0.95 0.00 0.00 7 A 9.94 3.94 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 D 7.62 4.21 0.00 2.93 2.86 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 0.00 0.00 0.00 9 M 8.24 4.12 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 10 L 7.96 3.89 0.00 1.87 1.64 0.91 0.54 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 11 T 8.36 3.83 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 1.16 0.00 0.00 12 R 8.46 3.86 0.00 1.80 2.10 0.00 3.40 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 13 I 8.24 3.71 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.49 0.82 0.00 0.00 14 R 7.93 3.76 0.00 1.89 2.07 0.00 3.00 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 15 N 8.49 4.34 0.00 2.78 2.83 0.00 0.00 7.10 7.21 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 16 A 8.10 4.12 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 17 T 7.92 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 18 R 7.66 3.77 0.00 1.97 1.91 0.00 3.04 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 19 V 7.36 4.24 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 0.72 0.00 0.00 1.01 0.00 0.00 20 Y 7.08 3.55 0.00 3.04 2.61 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 21 K 9.21 4.59 0.00 1.65 1.71 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.40 7.81 22 E 8.10 3.78 0.00 2.14 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 2.53 2.65 0.00 23 S 7.33 4.95 0.00 3.75 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 24 T 8.19 4.61 4.23 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 1.20 0.00 0.00 25 D 8.50 5.85 0.00 2.49 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 26 V 8.09 4.56 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 0.68 0.00 0.00 0.90 0.00 0.00 27 P 0.00 3.88 0.00 1.77 1.66 0.00 3.63 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 1.90 1.62 0.00 28 A 8.43 4.03 1.20 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 29 S 8.59 4.23 0.00 3.78 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.65 3.84 0.00 1.94 2.01 0.00 3.29 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 31 F 8.25 4.14 0.00 2.95 3.08 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 32 K 8.07 3.90 0.00 2.00 1.74 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.56 7.81 33 E 8.09 3.40 0.00 2.05 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 1.99 2.40 0.00 34 E 7.94 3.52 0.00 1.89 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 2.33 2.56 0.00 35 I 7.34 3.47 1.79 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.40 0.77 0.00 0.00 36 L 7.60 3.94 0.00 1.42 1.68 0.65 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.57 4.23 0.00 2.09 2.15 0.00 3.14 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.90 0.00 38 I 7.32 3.99 2.08 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.83 0.96 0.00 0.00 39 L 8.00 4.21 0.00 1.85 1.84 0.84 0.55 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 40 A 8.66 4.26 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 41 R 7.68 4.00 0.00 1.94 2.17 0.00 3.24 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 42 E 7.18 4.50 0.00 2.12 1.76 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 2.44 2.46 0.00 43 G 9.16 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 0.00 0.00 0.00 44 F 8.27 4.84 0.00 3.29 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 45 I 7.38 4.74 2.18 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 0.96 0.00 0.00 46 K 8.92 3.99 0.00 1.78 1.97 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.53 7.81 47 G 7.38 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 0.00 0.00 0.00 0.00 48 Y 8.38 6.26 0.00 2.91 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 49 E 8.56 4.76 0.00 2.10 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 0.00 2.50 2.45 0.00 50 R 8.90 4.62 0.00 1.80 2.04 0.00 3.26 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 51 V 7.79 4.58 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.05 0.00 0.00 52 D 8.46 4.95 0.00 2.79 2.55 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 53 V 9.11 4.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.65 0.00 0.00 54 D 10.02 4.52 0.00 2.90 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 55 G 8.60 4.12 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 0.00 0.00 0.00 56 K 8.25 3.97 0.00 2.35 1.89 0.00 1.89 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.57 7.81 57 P 0.00 5.11 0.00 2.11 2.22 0.00 3.79 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 1.98 1.81 0.00 58 Y 8.25 4.60 0.00 3.02 2.98 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 59 L 8.31 5.00 0.00 1.52 1.50 0.72 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 60 R 9.34 4.28 0.00 1.73 1.16 0.00 3.03 0.00 0.00 2.87 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 61 V 8.12 4.46 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 0.76 0.00 0.00 0.90 0.00 0.00 62 Y 9.06 4.42 0.00 3.14 2.95 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 0.00 0.00 0.00 63 L 8.64 4.56 0.00 2.20 1.51 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.39 4.88 0.00 1.87 1.81 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.51 7.81 65 Y 8.98 5.06 0.00 2.82 3.13 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 66 G 9.04 4.15 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 0.00 67 P 0.00 4.72 0.00 2.13 2.19 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 68 R 8.20 4.03 0.00 1.79 1.93 0.00 3.21 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.89 0.00 69 R 8.07 4.58 0.00 1.68 1.79 0.00 3.28 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 70 Q 8.50 4.26 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.99 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 71 G 8.62 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 72 P 0.00 4.21 0.00 2.06 2.01 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 73 D 8.57 4.33 0.00 2.89 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 74 P 0.00 4.50 0.00 2.18 2.10 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 75 R 7.87 4.05 0.00 1.98 1.90 0.00 3.27 0.00 0.00 3.71 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 76 P 0.00 4.61 0.00 2.16 1.89 0.00 2.58 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 77 E 8.63 4.51 0.00 2.14 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 2.40 0.00 78 Q 8.26 4.94 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 79 V 8.09 3.60 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 0.95 0.00 0.00 1.04 0.00 0.00 80 I 6.67 4.42 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.80 0.68 0.00 0.00 81 H 8.67 4.26 0.00 3.20 3.41 0.00 5.87 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 7.81 4.43 0.00 2.50 1.31 0.00 5.56 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 83 I 7.47 5.08 1.58 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.18 0.70 0.00 0.00 84 R 7.83 4.07 0.00 1.77 1.85 0.00 3.18 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 85 R 8.15 4.72 0.00 1.75 1.73 0.00 3.42 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 86 I 8.53 4.62 2.01 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 1.11 0.93 0.89 0.00 0.00 87 S 8.28 3.79 0.00 3.82 3.83 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 88 K 8.54 4.53 0.00 1.79 1.65 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.61 7.81 89 P 0.00 4.23 0.00 2.15 2.16 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 90 G 7.73 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 91 R 7.39 4.52 0.00 1.71 1.75 0.00 3.26 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 92 R 7.93 3.89 0.00 1.41 1.45 0.00 3.58 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 93 V 7.53 4.10 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 0.97 0.00 0.00 0.93 0.00 0.00 94 Y 8.27 5.27 0.00 2.94 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 95 V 8.55 4.72 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 0.85 0.00 0.00 1.01 0.00 0.00 96 G 9.70 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 0.00 0.00 0.00 97 V 8.49 4.22 2.17 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 1.08 0.00 0.00 0.98 0.00 0.00 98 K 8.05 4.40 0.00 1.78 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.47 7.81 99 E 8.31 4.57 0.00 2.01 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 2.24 2.25 0.00 100 I 7.19 3.60 1.89 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 1.33 0.60 1.00 0.00 0.00 101 P 0.00 4.46 0.00 2.06 2.01 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 102 R 8.14 4.38 0.00 1.75 1.86 0.00 3.19 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 103 V 8.19 3.69 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 1.13 0.00 0.00 1.04 0.00 0.00 104 R 8.60 3.49 0.00 1.83 1.86 0.00 2.66 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.34 0.00 105 R 8.56 3.80 0.00 1.87 1.92 0.00 3.47 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 106 G 7.74 4.38 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 0.00 107 L 7.77 4.09 0.00 1.59 1.75 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.84 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 0.00 0.00 0.00 109 I 8.98 4.58 2.16 0.00 0.00 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 1.20 2.10 1.10 0.00 0.00 110 A 8.03 5.30 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 0.00 111 I 8.17 4.27 1.84 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 1.41 0.94 0.85 0.00 0.00 112 L 8.48 4.82 0.00 1.93 1.74 0.97 0.85 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 0.00 113 S 8.76 5.18 0.00 4.26 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 0.00 114 T 8.23 5.19 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 0.00 115 S 8.76 4.48 0.00 4.01 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 0.00 116 K 7.72 4.51 0.00 1.74 1.80 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.36 7.81 117 G 8.09 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 0.00 118 V 8.20 4.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.92 0.00 0.00 119 L 8.89 5.07 0.00 1.63 1.55 0.95 0.32 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 0.00 120 T 8.11 5.09 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 121 D 8.49 4.32 0.00 2.97 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 0.00 122 R 7.98 4.25 0.00 1.87 2.00 0.00 3.16 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 123 E 8.12 4.04 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 124 A 8.17 3.98 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 0.00 125 R 8.16 3.78 0.00 2.09 2.13 0.00 3.24 0.00 0.00 3.27 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 126 K 9.20 4.07 0.00 1.83 2.09 0.00 1.87 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 127 L 8.32 4.08 0.00 1.87 1.83 0.93 1.15 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 0.00 128 G 9.18 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.48 4.53 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 0.85 0.00 0.00 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