NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2104 8.2544 120.8563 55.7869 30.7701 175.2830 2 S 4.0215 8.3487 121.0744 57.7405 63.7314 171.3857 3 E 3.9669 9.4824 129.9461 59.2846 29.7230 178.9741 4 Q 3.2194 7.6481 117.7178 58.7858 28.6931 178.6149 5 I 3.6825 7.6092 120.5042 64.2965 37.1487 178.2269 6 A 3.9139 7.9337 121.3391 55.1792 18.1926 179.5395 7 A 3.7526 8.0905 119.1314 55.3112 18.4151 180.0538 8 V 3.5623 8.0855 116.7980 66.2145 31.4952 178.5060 9 R 3.9127 8.3002 118.1353 59.1480 29.8198 179.2584 10 R 3.7334 7.8317 118.0542 59.0875 29.7750 178.5694 11 M 4.0909 7.5670 117.9820 58.8025 32.2451 178.4629 12 V 3.9024 8.1293 118.5498 66.1320 31.7286 177.5040 13 E 3.9880 8.6431 119.1806 59.1914 29.3256 178.6170 14 A 4.0808 8.3356 120.8948 55.4860 18.2550 179.2188 15 Y 4.1003 7.6510 114.1828 61.1904 38.0009 178.4104 16 N 4.5810 8.0993 116.7332 56.6471 38.8727 177.2604 17 T 4.2100 8.4155 109.6856 62.1090 69.3321 176.0307 18 G 3.8350 8.2802 108.4801 45.3746 0.0000 173.3405 19 K 4.3048 8.0848 120.3751 55.8910 32.1170 176.5554 20 T 4.7145 8.2978 113.0921 61.0322 69.5832 175.3505 21 D 4.3269 8.4489 123.7313 56.5100 39.3724 176.8886 22 D 4.9055 7.8713 117.1412 53.8695 41.4687 178.3751 23 V 2.6739 7.4623 116.0385 63.8821 31.5644 178.4043 24 A 3.8402 7.7185 121.3954 54.5520 18.3896 178.1986 25 D 4.5294 7.8736 115.9984 56.9541 41.0485 176.8053 26 Y 4.7776 7.0692 112.8917 55.8159 39.5738 174.2312 27 I 4.2327 7.1377 122.6203 59.3862 38.4980 175.1203 28 H 4.2249 8.8608 126.3784 55.1513 30.3114 174.2101 29 P 4.1897 0.0000 0.0000 65.5785 30.8697 176.7178 30 E 4.5258 8.3689 115.5576 55.8271 29.8879 174.8230 31 Y 4.5757 7.9618 121.4762 58.0874 39.8009 175.1765 32 M 4.7890 7.7929 124.1432 53.6956 36.6601 172.9661 33 N 5.2066 8.4803 122.7261 49.8581 41.3049 173.0381 34 P 4.2540 0.0000 0.0000 65.5410 31.5358 178.5577 35 G 3.7243 8.5665 107.5742 47.4588 0.0000 174.1294 36 T 4.7392 7.8076 109.5050 61.3060 69.0999 176.1944 37 L 3.9312 7.4741 124.2112 58.0626 41.7190 178.3510 38 E 3.7319 7.5987 118.2150 58.1994 29.6294 177.1948 39 F 4.7405 7.1991 116.0686 58.8480 40.1548 175.4480 40 T 4.5567 7.4461 111.6139 61.6061 69.8286 172.7189 41 S 4.6873 8.4049 119.2233 58.1441 63.1892 174.8287 42 L 4.2570 7.5610 120.6755 54.9411 42.1369 176.1594 43 R 4.7571 7.8801 118.4753 55.4640 34.7337 175.9832 44 G 4.2430 9.0249 107.6310 44.7977 0.0000 172.1889 45 P 4.1142 0.0000 0.0000 65.8907 30.8785 178.0248 46 E 3.9075 8.1638 117.8690 59.2492 29.3726 178.7227 47 L 3.9899 7.7944 119.6000 58.2306 42.1120 178.6935 48 F 4.1486 8.1975 120.2144 61.3037 39.2847 176.7642 49 A 3.7438 8.3546 120.9727 55.1935 18.0741 179.6981 50 I 3.7397 7.8110 111.5564 63.9042 37.7252 177.9704 51 N 4.3055 8.4169 119.2160 56.4366 38.7923 176.9241 52 V 3.4769 7.6105 119.6516 65.9345 31.4649 177.7526 53 A 3.9601 7.8931 120.4094 54.9641 18.1687 179.2562 54 W 3.9110 8.5360 127.1594 60.5507 30.6167 178.2768 55 V 3.5667 8.2215 118.0530 66.1352 30.5798 178.2147 56 K 4.1713 8.1065 118.2016 59.2240 31.6065 179.3847 57 K 3.8126 7.8784 119.3081 59.7478 32.3919 178.6841 58 T 3.6598 7.4587 116.1089 64.8861 68.2638 176.1838 59 F 5.5302 8.2528 117.0164 56.0903 39.8948 175.9908 60 S 4.7561 7.7815 112.0089 58.2925 63.4509 170.0339 61 E 3.9496 8.6463 120.4748 59.5973 29.2660 178.0310 62 E 4.2436 7.7416 114.6386 56.3708 29.8523 176.5488 63 A 4.3542 7.8213 121.8719 52.7084 19.1522 177.5132 64 R 4.8887 9.2028 119.9840 54.3311 34.5185 174.6837 65 L 5.1881 9.6018 123.1380 53.3388 43.2715 175.8375 66 E 4.5536 9.4270 124.8378 55.0799 31.7128 175.1140 67 E 4.5939 8.6291 124.3858 55.4051 30.2105 175.6008 68 V 3.9228 8.8453 128.1980 64.9404 32.4069 176.1657 69 G 4.1965 7.5243 103.9315 45.7901 0.0000 172.2614 70 I 5.3774 8.4227 121.4548 59.4047 41.0202 174.3614 71 E 5.0330 9.4054 124.2375 54.5182 33.4021 174.2238 72 E 5.2561 8.5614 116.5289 55.0930 33.3670 175.2857 73 R 4.3986 9.3258 121.3802 55.9845 33.4742 175.3107 74 A 3.5466 8.3019 130.4744 54.0431 18.0220 176.7955 75 D 4.7701 8.9852 119.5064 56.6185 40.8472 174.9927 76 W 5.4441 8.5287 120.1364 54.9124 32.4180 174.8353 77 V 4.9610 9.2401 123.0357 61.1313 34.5599 174.0177 78 R 5.1867 9.3218 127.6705 54.5697 32.5540 173.9453 79 A 5.0889 9.1693 128.7532 50.2679 21.8291 175.1224 80 R 4.9382 9.1960 122.8412 54.8785 31.8277 175.5772 81 L 5.4063 8.8560 123.4174 52.7624 46.7489 175.9408 82 V 4.7037 8.7818 119.4515 61.2948 34.6924 173.8051 83 L 4.9788 8.7617 130.5695 54.4469 43.6241 174.7524 84 Y 4.5879 8.9057 123.6380 56.4168 41.7257 175.2537 85 G 3.9982 7.0134 108.2535 45.8778 0.0000 171.3952 86 R 5.2788 8.4372 119.4826 54.5838 33.3970 174.5340 87 H 5.2055 9.7842 126.9892 56.6960 29.8426 175.3105 88 V 4.4194 9.2185 118.2885 60.5569 33.3382 175.9480 89 G 4.1170 7.7258 106.5034 43.4521 0.0000 172.3623 90 E 4.3339 8.7025 121.4965 56.8241 31.0309 175.6815 91 M 4.9301 9.0516 125.2204 54.8163 34.6779 175.8229 92 V 3.4311 9.8326 122.5959 62.6317 29.4191 174.8320 93 G 4.2744 8.1490 106.1387 46.7714 0.0000 172.3227 94 M 4.7457 8.3006 120.6883 53.1634 33.3459 175.9063 95 A 4.9800 8.4218 125.9584 50.7214 19.3057 175.2592 96 P 3.9040 0.0000 0.0000 63.4174 31.7079 176.7656 97 T 4.2371 8.2994 111.6730 60.9923 69.8725 175.6647 98 G 3.9159 8.2367 109.8004 46.0821 0.0000 173.1874 99 R 4.5151 7.6327 119.5738 54.6331 31.5103 176.3577 100 L 4.7807 8.5944 123.8800 55.3735 42.6282 176.1958 101 F 5.2314 8.5131 115.9399 56.0908 41.7153 173.0766 102 S 4.6600 9.0769 114.0558 56.8800 66.0543 173.7986 103 G 4.1864 8.8832 109.7697 44.6150 0.0000 172.2035 104 E 4.6973 8.9067 124.0366 56.8389 31.0843 175.9211 105 Q 4.9201 9.5715 120.2934 54.3774 33.8324 174.0820 106 I 5.1428 8.6132 122.0114 59.9808 40.4954 174.1794 107 H 5.2703 9.4682 124.2995 53.8641 31.9576 173.0024 108 L 5.2641 9.0359 122.6879 52.9728 44.4671 175.3885 109 L 5.2490 9.3630 124.0873 53.1143 45.3645 174.8316 110 H 4.4498 8.9159 123.7990 54.1587 31.8078 173.0414 111 F 4.9007 8.6942 125.1595 56.1652 40.5029 175.7328 112 V 4.2007 8.1465 121.8635 62.3148 34.1792 175.0255 113 D 4.2777 9.8784 124.9945 55.4387 38.2640 174.7775 114 G 4.0463 8.6969 105.0612 45.4840 0.0000 173.9358 115 K 4.7879 7.9925 118.3238 53.9063 35.8096 175.3794 116 I 3.2982 8.3867 122.4777 61.8728 37.3449 176.0799 117 H 4.5739 9.2608 127.8708 57.0200 32.4524 173.7281 118 H 4.9944 7.7090 116.8111 54.5774 33.8193 171.7690 119 H 5.2552 8.5526 124.4319 54.6655 33.1487 171.5708 120 R 4.8472 9.2181 127.2988 54.3466 32.4537 174.1495 121 D 4.8315 8.3384 124.6001 51.3164 42.9322 175.3209 122 W 4.8807 8.8042 121.9680 54.2786 30.5818 173.6088 123 P 4.4684 0.0000 0.0000 62.0752 31.8138 177.5333 124 D 4.5700 8.1221 120.5267 53.1876 39.0377 176.3117 125 Y 4.1552 7.8723 122.0843 60.7972 38.3227 177.8044 126 Q 4.2118 8.2524 118.5178 58.9171 28.9216 178.8009 127 G 3.7365 8.2572 107.6045 47.5093 0.0000 175.7130 128 T 3.8120 8.1743 118.3339 66.4647 68.4261 175.9703 129 Y 4.1494 8.4505 121.8256 60.8630 38.7120 178.3933 130 R 3.7717 8.2880 118.9791 59.6133 30.0607 179.2072 131 Q 4.0617 7.8241 115.6977 58.2953 28.7426 177.8177 132 L 4.3844 7.6631 118.1088 54.5024 41.8008 177.3360 133 G 3.6445 7.7065 107.2034 45.3169 0.0000 174.1671 134 E 2.0000 7.4719 116.1905 55.7597 27.1216 173.4348 135 P 4.4432 0.0000 0.0000 62.2170 32.7724 176.8160 136 W 4.4570 8.6729 120.6480 55.4227 29.8943 174.8176 137 P 4.6063 0.0000 0.0000 62.9126 31.3103 176.2425 138 E 4.4132 8.9854 119.8077 57.6732 30.7262 176.1014 139 T 4.5506 7.3966 112.6391 61.1795 69.9925 173.1605 140 E 4.3399 8.5934 123.1280 57.0271 30.3723 175.8276 141 H 4.8708 7.6404 117.7491 54.3728 30.9030 174.9627 142 R 4.2102 8.5821 115.8672 59.3112 29.6706 176.5129 143 R 4.2054 7.7236 122.0843 56.4407 30.1378 174.0499 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 R 8.25 4.21 0.00 1.77 1.92 0.00 3.34 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 2 S 8.35 4.02 0.00 4.09 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 3 E 9.48 3.97 0.00 1.91 1.91 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 2.35 2.30 0.00 4 Q 7.65 3.22 0.00 1.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.86 0.00 5 I 7.61 3.68 1.83 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 1.46 0.65 0.91 0.00 0.00 6 A 7.93 3.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.09 3.75 1.61 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 8 V 8.09 3.56 2.26 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 1.15 0.00 0.00 1.20 0.00 0.00 9 R 8.30 3.91 0.00 1.97 1.94 0.00 3.17 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 10 R 7.83 3.73 0.00 1.07 1.21 0.00 3.03 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 11 M 7.57 4.09 0.00 2.27 1.92 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 2.15 2.93 0.00 12 V 8.13 3.90 2.26 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 1.02 0.00 0.00 1.02 0.00 0.00 13 E 8.64 3.99 0.00 2.19 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 0.00 2.32 2.41 0.00 14 A 8.34 4.08 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 15 Y 7.65 4.10 0.00 3.21 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 16 N 8.10 4.58 0.00 2.94 2.92 0.00 0.00 7.08 7.57 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 17 T 8.42 4.21 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 1.30 0.00 0.00 18 G 8.28 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 0.00 0.00 0.00 19 K 8.08 4.30 0.00 1.79 1.80 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.38 7.81 20 T 8.30 4.71 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 1.07 0.00 0.00 21 D 8.45 4.33 0.00 2.80 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 22 D 7.87 4.91 0.00 2.78 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 23 V 7.46 2.67 1.80 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 0.89 0.00 0.00 0.89 0.00 0.00 24 A 7.72 3.84 1.19 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 0.00 0.00 25 D 7.87 4.53 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.07 4.78 0.00 3.09 3.09 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 27 I 7.14 4.23 1.49 0.00 0.00 -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 0.27 0.08 0.28 0.00 0.00 28 H 8.86 4.22 0.00 3.16 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.19 0.00 2.22 2.16 0.00 3.39 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 30 E 8.37 4.53 0.00 1.98 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 2.29 0.00 31 Y 7.96 4.58 0.00 3.20 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.79 4.79 0.00 1.92 1.67 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 2.41 2.49 0.00 33 N 8.48 5.21 0.00 2.52 2.56 0.00 0.00 7.43 7.71 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 34 P 0.00 4.25 0.00 2.25 2.29 0.00 3.77 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 35 G 8.57 3.72 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 0.00 0.00 0.00 36 T 7.81 4.74 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 1.25 0.00 0.00 37 L 7.47 3.93 0.00 1.58 1.67 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.60 3.73 0.00 1.36 1.12 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 1.74 2.02 0.00 39 F 7.20 4.74 0.00 3.00 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 40 T 7.45 4.56 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 1.29 0.00 0.00 41 S 8.40 4.69 0.00 3.89 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 42 L 7.56 4.26 0.00 1.72 1.65 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.88 4.76 0.00 1.87 1.82 0.00 3.25 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.88 0.00 44 G 9.02 4.24 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 0.00 45 P 0.00 4.11 0.00 2.18 2.15 0.00 3.69 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 2.02 1.97 0.00 46 E 8.16 3.91 0.00 2.31 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 2.41 2.43 0.00 47 L 7.79 3.99 0.00 1.98 2.10 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.20 4.15 0.00 2.53 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 49 A 8.35 3.74 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 50 I 7.81 3.74 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.11 0.95 0.00 0.00 51 N 8.42 4.31 0.00 2.91 3.00 0.00 0.00 6.77 8.48 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 52 V 7.61 3.48 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 -0.47 0.00 0.00 53 A 7.89 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 8.54 3.91 0.00 3.39 3.31 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 55 V 8.22 3.57 2.56 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 1.39 0.00 0.00 1.46 0.00 0.00 56 K 8.11 4.17 0.00 1.94 1.98 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.65 1.61 7.81 57 K 7.88 3.81 0.00 1.64 1.74 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 1.32 7.81 58 T 7.46 3.66 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 0.29 0.00 0.00 59 F 8.25 5.53 0.00 3.27 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 60 S 7.78 4.76 0.00 4.21 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 0.00 61 E 8.65 3.95 0.00 1.98 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 0.00 2.31 2.28 0.00 62 E 7.74 4.24 0.00 1.99 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 2.32 2.25 0.00 63 A 7.82 4.35 1.50 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 64 R 9.20 4.89 0.00 1.64 1.85 0.00 3.03 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 65 L 9.60 5.19 0.00 1.53 1.65 0.71 0.96 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 66 E 9.43 4.55 0.00 1.97 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 2.33 2.33 0.00 67 E 8.63 4.59 0.00 1.99 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 2.31 2.31 0.00 68 V 8.85 3.92 2.26 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 0.81 0.00 0.00 0.97 0.00 0.00 69 G 7.52 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 70 I 8.42 5.38 1.89 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 1.43 0.83 0.95 0.00 0.00 71 E 9.41 5.03 0.00 1.98 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 0.00 2.23 2.40 0.00 72 E 8.56 5.26 0.00 2.08 1.92 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 2.17 2.30 0.00 73 R 9.33 4.40 0.00 1.85 1.87 0.00 3.26 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 74 A 8.30 3.55 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 75 D 8.99 4.77 0.00 2.75 2.74 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 76 W 8.53 5.44 0.00 3.45 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 77 V 9.24 4.96 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 1.16 0.00 0.00 1.07 0.00 0.00 78 R 9.32 5.19 0.00 1.96 1.82 0.00 3.51 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 79 A 9.17 5.09 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 80 R 9.20 4.94 0.00 1.77 1.93 0.00 3.11 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 81 L 8.86 5.41 0.00 1.57 1.61 0.73 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.78 4.70 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 0.64 0.00 0.00 0.96 0.00 0.00 83 L 8.76 4.98 0.00 1.82 1.49 1.06 0.58 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 84 Y 8.91 4.59 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.44 5.28 0.00 1.91 1.80 0.00 3.13 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 87 H 9.78 5.21 0.00 3.36 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 9.22 4.42 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 0.76 0.00 0.00 1.05 0.00 0.00 89 G 7.73 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 90 E 8.70 4.33 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.47 0.00 91 M 9.05 4.93 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.71 0.00 92 V 9.83 3.43 2.20 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 1.03 0.00 0.00 1.04 0.00 0.00 93 G 8.15 4.27 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 0.00 94 M 8.30 4.75 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 95 A 8.42 4.98 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 96 P 0.00 3.90 0.00 1.99 1.91 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 97 T 8.30 4.24 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 1.36 0.00 0.00 98 G 8.24 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 99 R 7.63 4.52 0.00 1.81 2.04 0.00 3.53 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 100 L 8.59 4.78 0.00 1.56 1.60 0.93 0.85 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 0.00 101 F 8.51 5.23 0.00 3.09 3.07 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 0.00 102 S 9.08 4.66 0.00 2.76 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 0.00 103 G 8.88 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 0.00 0.00 0.00 0.00 104 E 8.91 4.70 0.00 1.94 1.91 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 2.40 2.32 0.00 105 Q 9.57 4.92 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 106 I 8.61 5.14 2.30 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 1.38 1.33 1.11 0.00 0.00 107 H 9.47 5.27 0.00 3.06 3.25 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 9.04 5.26 0.00 1.38 1.68 0.97 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 109 L 9.36 5.25 0.00 1.55 1.36 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.92 4.45 0.00 1.40 2.55 0.00 5.76 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.69 4.90 0.00 2.85 2.88 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 0.00 112 V 8.15 4.20 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 0.85 0.00 0.00 0.55 0.00 0.00 113 D 9.88 4.28 0.00 2.92 2.74 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 0.00 114 G 8.70 4.05 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 0.00 0.00 0.00 115 K 7.99 4.79 0.00 1.85 1.83 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.40 7.81 116 I 8.39 3.30 1.64 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 0.12 0.26 0.80 0.00 0.00 117 H 9.26 4.57 0.00 2.93 3.18 0.00 5.54 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 7.71 4.99 0.00 3.11 2.94 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 8.55 5.26 0.00 3.23 2.82 0.00 5.60 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 9.22 4.85 0.00 1.83 1.48 0.00 2.87 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.37 0.00 121 D 8.34 4.83 0.00 2.05 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 0.00 0.00 0.00 0.00 122 W 8.80 4.88 0.00 3.37 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 0.00 123 P 0.00 4.47 0.00 0.92 1.70 0.00 3.17 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.92 0.00 124 D 8.12 4.57 0.00 2.94 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 0.00 125 Y 7.87 4.16 0.00 3.11 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 8.25 4.21 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 127 G 8.26 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 0.00 128 T 8.17 3.81 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 129 Y 8.45 4.15 0.00 3.07 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.29 3.77 0.00 2.06 1.94 0.00 3.18 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 131 Q 7.82 4.06 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 132 L 7.66 4.38 0.00 1.61 1.67 0.73 0.75 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 0.00 133 G 7.71 3.64 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 0.00 0.00 0.00 134 E 7.47 2.00 0.00 1.74 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 1.60 1.91 0.00 135 P 0.00 4.44 0.00 2.27 2.08 0.00 3.14 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 2.12 2.02 0.00 136 W 8.67 4.46 0.00 3.34 3.25 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 0.00 137 P 0.00 4.61 0.00 2.15 2.07 0.00 3.95 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 138 E 8.99 4.41 0.00 2.10 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 0.00 2.58 2.29 0.00 139 T 7.40 4.55 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 1.29 0.00 0.00 140 E 8.59 4.34 0.00 2.05 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 2.13 1.97 0.00 141 H 7.64 4.87 0.00 3.12 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.58 4.21 0.00 1.98 2.18 0.00 3.16 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 143 R 7.72 4.21 0.00 1.79 1.80 0.00 3.48 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00