NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3407 8.2493 123.5816 50.7131 20.9042 176.6077 2 K 4.1661 7.5775 111.6458 55.3667 35.0583 174.2710 3 K 4.3489 8.2327 123.8126 55.6489 34.6996 176.3482 4 V 4.4934 7.8349 122.2785 59.0359 34.4996 174.9761 5 Q 3.8572 8.4162 119.1295 56.7941 28.8038 175.6658 6 A 3.8520 9.1456 121.8939 53.8655 19.0306 177.1975 7 Y 3.4432 8.1754 121.7800 58.4432 36.5220 169.7929 8 V 4.2351 7.9365 116.8940 59.8396 34.2059 174.8973 9 K 4.9197 8.0886 120.5291 54.8721 35.8516 175.7749 10 L 4.3778 8.5796 121.8415 55.0650 44.1866 174.2190 11 Q 4.8204 8.7422 120.7377 54.5700 29.0322 174.9775 12 V 4.5287 7.9761 123.4376 59.0972 34.5250 175.2916 13 A 3.7655 8.7991 123.9428 52.4494 18.5505 176.4302 14 A 3.8587 8.3665 118.7696 53.4781 19.0981 179.2601 15 G 3.9976 7.3007 107.4598 41.0000 0.0000 172.0034 16 M 4.1190 7.5687 115.5290 55.4826 35.3192 173.5157 17 A 4.2438 8.5465 126.7325 52.2141 21.7974 174.4130 18 N 4.6214 9.3412 116.6075 53.3744 37.9681 173.2144 19 P 4.2757 0.0000 0.0000 62.8562 31.9517 176.6903 20 S 4.0187 8.6412 117.1351 61.1784 62.7423 173.5407 21 P 4.3874 0.0000 0.0000 65.3692 31.3186 176.1831 22 P 4.4471 0.0000 0.0000 65.2926 32.9229 177.2890 23 V 4.2045 7.5826 113.4953 61.4291 32.5014 181.1292 24 G 3.8421 9.4017 108.7395 45.2780 0.0000 172.9147 25 P 4.0962 0.0000 0.0000 66.1076 31.0745 175.8514 26 A 3.7993 7.7885 117.4815 55.5331 18.3715 178.7928 27 L 4.2011 7.5373 115.8090 56.6942 41.3095 179.0167 28 G 3.6115 8.1084 107.7076 47.8739 0.0000 175.6771 29 Q 3.9562 7.5541 119.2313 59.1185 28.8540 178.5878 30 Q 4.1353 7.4864 117.4857 57.6169 28.6305 177.6362 31 G 4.1425 7.2932 107.8955 45.4242 0.0000 174.0367 32 V 3.4051 7.3381 118.1521 62.1797 32.2542 176.5863 33 N 4.7123 8.1638 122.7533 52.1160 38.2634 175.8913 34 I 3.5453 8.2330 125.0384 64.9151 37.3934 176.9495 35 M 3.9348 8.0969 117.6807 59.1018 32.0712 177.8034 36 E 3.9875 8.4230 118.4164 59.5896 29.6237 178.5324 37 F 4.3749 8.5521 120.2264 61.4595 39.3949 176.1216 38 C 3.9997 8.3655 118.5933 62.8624 31.3318 176.0455 39 K 3.9719 8.0523 119.1203 59.1382 31.7461 179.2615 40 A 4.0764 8.4356 121.5318 55.6529 18.4017 178.9505 41 F 4.3361 8.7677 120.3124 61.5132 39.2066 176.7504 42 N 4.6355 8.5203 117.1119 54.8995 38.3601 177.3476 43 A 4.0639 7.5849 122.1921 55.3043 18.7328 179.8039 44 K 4.0871 7.6345 116.0326 59.0834 32.2416 179.5240 45 T 3.8008 7.5770 109.8498 63.8978 68.1820 176.2962 46 D 4.2439 7.2964 120.4933 57.5361 40.9431 177.8444 47 S 4.1808 7.8031 113.7290 61.4480 63.1096 175.0065 48 I 3.8168 7.1874 118.0480 60.0714 38.1184 174.8581 49 E 3.8482 8.7716 123.2660 56.8949 29.4515 177.1157 50 K 4.2505 8.4912 123.6624 57.1803 32.9222 177.7590 51 G 3.9468 8.9941 110.7393 45.0365 0.0000 172.7445 52 L 4.7828 7.2158 120.5967 51.8463 43.9982 173.9010 53 P 4.5455 0.0000 0.0000 63.2806 31.7767 175.3580 54 I 4.6191 8.0024 125.1131 58.1699 39.9105 173.1274 55 P 4.8104 0.0000 0.0000 62.6341 32.6419 175.3875 56 V 4.8388 8.9089 124.6737 59.6916 34.8920 174.8131 57 V 4.4592 8.0858 122.3214 61.3936 33.5334 174.2103 58 I 4.6746 7.9563 129.6847 60.2669 39.2299 174.9067 59 T 4.5537 8.7141 121.3400 60.2586 69.5916 173.1209 60 V 4.2284 8.2358 128.5006 61.8658 33.1437 174.3553 61 Y 4.8901 7.9012 122.5248 55.7980 40.4546 176.6844 62 A 4.2964 8.6874 122.7571 55.4935 18.5133 178.4158 63 D 4.4314 8.1982 114.3145 55.3996 41.4283 177.8297 64 R 4.1470 8.4937 116.3136 56.9039 29.1766 176.1157 65 S 4.6962 7.8075 113.6033 58.2668 63.4772 171.7480 66 F 5.0884 7.6899 114.7603 56.4061 39.8846 173.1332 67 T 5.0821 8.4570 108.9431 60.2919 72.5094 172.5887 68 F 5.7570 8.1258 115.7400 55.6315 41.4576 173.8467 69 V 4.3082 8.5227 114.4505 59.9463 33.8226 174.6461 70 T 4.3845 8.6613 121.5891 61.4428 67.4859 173.9934 71 K 4.5763 8.1256 133.7810 56.4306 32.8075 175.7082 72 T 4.6131 8.1127 118.2053 60.1549 69.1713 173.4490 73 P 4.4992 0.0000 0.0000 62.2494 31.9162 174.8392 74 P 4.3210 0.0000 0.0000 63.1398 33.1455 177.5578 75 A 3.9872 8.5991 122.0584 55.0960 18.3927 180.0307 76 A 3.9266 7.9769 118.8949 55.3448 18.4912 179.8457 77 V 3.4951 7.7176 116.0319 66.2812 31.7639 177.8898 78 L 4.0129 8.0624 118.7163 58.0252 41.4096 179.6824 79 L 4.0537 8.3722 119.1947 57.5195 41.4499 179.6235 80 K 3.9853 7.9728 118.5886 59.3070 31.9283 179.5016 81 K 3.9210 8.0742 118.3981 59.4544 31.8394 179.0289 82 A 3.9642 7.8224 119.2976 55.4490 18.3997 179.3246 83 A 4.3039 8.3641 117.6226 52.9296 18.4814 178.5870 84 G 3.7959 7.9156 105.1370 46.0310 0.0000 173.5412 85 I 4.3566 7.6704 112.9669 59.2279 39.6076 175.4247 86 K 4.2785 8.4693 118.9395 57.4186 33.0949 176.2312 87 S 4.7820 7.5873 110.2526 55.9321 66.4859 174.7165 88 G 4.0494 8.4160 113.7497 45.6143 0.0000 174.3043 89 S 4.5175 8.2294 115.8258 57.3339 64.0911 175.5218 90 G 4.0674 8.3225 114.0019 45.6905 0.0000 174.5945 91 K 4.5422 7.2314 119.3005 52.3264 32.0256 173.7913 92 P 4.7046 0.0000 0.0000 63.2583 32.5304 175.9026 93 N 4.8865 8.9523 121.0830 53.9733 37.4246 176.1693 94 K 4.0384 7.8352 117.2751 58.6075 32.4256 176.3963 95 D 4.7734 7.7977 116.8841 51.9096 43.4489 174.4280 96 K 5.0253 8.5588 125.5472 55.7984 33.7202 176.8796 97 V 4.1111 8.3227 115.7562 62.4740 33.1616 175.3618 98 G 4.3055 7.6380 106.2912 45.3663 0.0000 171.7857 99 K 5.3264 8.3864 117.6774 55.4080 36.0398 175.9321 100 I 4.9419 8.9518 121.8599 59.5692 41.8586 175.3380 101 S 5.2158 9.0780 120.8240 57.4841 63.6448 175.6012 102 R 3.9572 8.6695 120.9601 59.3173 29.7952 179.3126 103 A 4.1898 7.9100 120.3435 55.1757 18.4866 179.3933 104 Q 4.1907 7.8339 117.4922 58.6699 28.8455 179.0070 105 L 4.0461 7.9867 119.3474 58.1432 41.6544 179.5612 106 Q 4.1130 7.8767 117.7061 58.8988 28.0625 178.7009 107 E 4.0009 8.0090 119.3218 59.5030 29.4416 179.4714 108 I 3.7988 8.3141 120.1309 64.2129 37.2174 178.3847 109 A 3.9973 8.5458 122.0856 54.9829 17.9269 179.4363 110 Q 3.9839 7.8922 117.6126 59.3167 29.1567 178.1312 111 T 4.0884 7.5585 116.2870 66.4093 68.8635 176.6364 112 K 4.1829 8.6090 119.2987 57.7161 32.0543 179.0321 113 A 3.9412 7.7254 121.9720 55.3585 18.0438 179.2962 114 A 3.9619 8.0290 117.1574 55.1792 18.5609 178.6146 115 D 4.6152 8.1529 114.5607 54.2141 41.8123 176.7199 116 M 4.4722 6.9276 119.3053 54.4130 33.2649 176.2725 117 T 4.1299 8.4990 115.2265 62.8871 68.0921 175.0143 118 G 3.8697 8.0247 108.5049 46.1601 0.0000 173.3329 119 A 4.1059 8.8213 128.2682 54.3282 19.0798 177.1497 120 D 5.0718 7.6270 114.0022 50.7223 43.9435 176.6276 121 I 3.7158 8.2018 113.3554 64.1768 37.2953 177.9320 122 E 3.9071 8.2621 119.5176 59.1446 29.2929 178.8940 123 A 3.9867 8.9638 120.8373 55.5908 18.3524 179.5423 124 M 3.9933 7.8938 116.6882 58.9062 32.0870 179.1203 125 T 3.8681 8.3480 116.2112 66.7491 68.6024 176.6906 126 R 4.1398 8.1157 121.9124 58.8938 29.8109 178.4475 127 S 4.1283 8.3140 115.2512 61.9369 62.7376 176.8389 128 I 3.8845 7.6578 122.1492 64.0386 36.3952 178.1524 129 E 4.0573 8.1672 119.7215 59.4029 29.0299 179.6397 130 G 3.6876 8.1528 105.2044 47.5983 0.0000 175.5862 131 T 4.1035 7.4088 111.9749 64.4553 68.8844 176.9145 132 A 3.9875 8.2147 123.8838 55.1131 18.2948 179.9033 133 R 3.8714 8.1037 115.1893 59.0134 30.1341 178.8003 134 S 4.4176 7.5827 113.7411 60.1172 62.9932 175.2395 135 M 4.4198 8.2580 120.7059 54.5228 32.1358 177.0574 136 G 3.8807 7.9844 107.4648 45.9834 0.0000 172.4390 137 L 4.8304 7.7177 119.5089 52.6296 42.9155 176.8430 138 V 3.9334 8.3824 124.6868 62.6293 33.2392 175.0236 139 V 5.5549 8.4383 123.8710 60.1643 34.2096 174.1767 140 E 4.5703 8.6660 126.5582 54.5152 31.6686 175.7503 141 D 4.4587 8.6562 122.9643 54.3612 41.3815 175.5471 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 A 8.25 4.34 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 2 K 7.58 4.17 0.00 1.90 1.75 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.45 7.81 3 K 8.23 4.35 0.00 1.70 1.76 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.48 7.81 4 V 7.83 4.49 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 0.77 0.00 0.00 0.93 0.00 0.00 5 Q 8.42 3.86 0.00 2.45 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 6 A 9.15 3.85 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.18 3.44 0.00 3.07 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 8 V 7.94 4.24 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 0.52 0.00 0.00 0.67 0.00 0.00 9 K 8.09 4.92 0.00 1.55 1.62 0.00 1.96 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.43 7.81 10 L 8.58 4.38 0.00 1.65 1.61 0.77 0.59 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 11 Q 8.74 4.82 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 12 V 7.98 4.53 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 0.26 0.00 0.00 0.93 0.00 0.00 13 A 8.80 3.77 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 14 A 8.37 3.86 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 15 G 7.30 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 16 M 7.57 4.12 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 17 A 8.55 4.24 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 18 N 9.34 4.62 0.00 2.75 3.28 0.00 0.00 6.96 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.28 0.00 2.20 1.97 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 20 S 8.64 4.02 0.00 3.81 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 21 P 0.00 4.39 0.00 2.06 2.09 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 22 P 0.00 4.45 0.00 2.02 2.09 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 23 V 7.58 4.20 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 0.97 0.00 0.00 0.92 0.00 0.00 24 G 9.40 3.84 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 0.00 0.00 0.00 25 P 0.00 4.10 0.00 2.13 2.12 0.00 3.97 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 2.10 2.16 0.00 26 A 7.79 3.80 1.26 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 0.00 0.00 27 L 7.54 4.20 0.00 1.54 1.63 0.27 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.11 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 29 Q 7.55 3.96 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 30 Q 7.49 4.14 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.40 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 31 G 7.29 4.14 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 0.00 32 V 7.34 3.41 1.65 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 -0.62 0.00 0.00 0.58 0.00 0.00 33 N 8.16 4.71 0.00 3.18 2.92 0.00 0.00 6.88 7.34 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 34 I 8.23 3.55 1.88 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 1.49 0.94 0.93 0.00 0.00 35 M 8.10 3.93 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.73 0.00 36 E 8.42 3.99 0.00 2.22 2.41 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 0.00 2.46 2.45 0.00 37 F 8.55 4.37 0.00 3.40 3.21 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 38 C 8.37 4.00 0.00 3.10 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 39 K 8.05 3.97 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.61 7.81 40 A 8.44 4.08 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.77 4.34 0.00 1.51 2.38 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 42 N 8.52 4.64 0.00 2.77 2.80 0.00 0.00 6.56 8.85 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 43 A 7.58 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 44 K 7.63 4.09 0.00 1.89 1.80 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 45 T 7.58 3.80 3.90 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 -0.13 0.00 0.00 46 D 7.30 4.24 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.80 4.18 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.19 3.82 1.82 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 1.29 0.74 0.89 0.00 0.00 49 E 8.77 3.85 0.00 2.03 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 2.41 2.32 0.00 50 K 8.49 4.25 0.00 1.73 1.71 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.49 7.81 51 G 8.99 3.95 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 0.00 0.00 0.00 52 L 7.22 4.78 0.00 1.62 1.60 0.93 0.91 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 53 P 0.00 4.55 0.00 2.10 2.13 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 54 I 8.00 4.62 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.31 1.18 0.00 0.00 55 P 0.00 4.81 0.00 2.19 2.21 0.00 3.83 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 2.13 2.00 0.00 56 V 8.91 4.84 2.41 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 0.55 0.00 0.00 1.34 0.00 0.00 57 V 8.09 4.46 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 0.48 0.00 0.00 0.94 0.00 0.00 58 I 7.96 4.67 1.42 0.00 0.00 -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 0.61 0.29 0.62 0.00 0.00 59 T 8.71 4.55 4.13 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 1.25 0.00 0.00 60 V 8.24 4.23 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 0.93 0.00 0.00 0.70 0.00 0.00 61 Y 7.90 4.89 0.00 3.14 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 62 A 8.69 4.30 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.20 4.43 0.00 2.77 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 64 R 8.49 4.15 0.00 2.05 2.17 0.00 3.26 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 65 S 7.81 4.70 0.00 4.17 4.03 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 0.00 0.00 0.00 66 F 7.69 5.09 0.00 3.00 2.76 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 67 T 8.46 5.08 4.28 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 1.40 0.00 0.00 68 F 8.13 5.76 0.00 3.18 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 69 V 8.52 4.31 2.13 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 0.83 0.00 0.00 1.00 0.00 0.00 70 T 8.66 4.38 4.51 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 1.25 0.00 0.00 71 K 8.13 4.58 0.00 1.97 2.12 0.00 1.95 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.59 7.81 72 T 8.11 4.61 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 1.30 0.00 0.00 73 P 0.00 4.50 0.00 2.24 2.18 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 74 P 0.00 4.32 0.00 2.19 2.05 0.00 3.68 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 2.14 2.20 0.00 75 A 8.60 3.99 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 76 A 7.98 3.93 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 77 V 7.72 3.50 2.24 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 1.08 0.00 0.00 0.95 0.00 0.00 78 L 8.06 4.01 0.00 1.90 1.72 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.37 4.05 0.00 1.85 1.72 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.97 3.99 0.00 2.04 2.03 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.73 7.81 81 K 8.07 3.92 0.00 1.96 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.69 7.81 82 A 7.82 3.96 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 83 A 8.36 4.30 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 84 G 7.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.67 4.36 1.87 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 1.43 0.71 0.95 0.00 0.00 86 K 8.47 4.28 0.00 1.76 1.89 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.40 7.81 87 S 7.59 4.78 0.00 3.76 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.42 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 89 S 8.23 4.52 0.00 4.29 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.32 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 91 K 7.23 4.54 0.00 1.83 1.72 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.47 7.81 92 P 0.00 4.70 0.00 2.03 2.10 0.00 3.80 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 93 N 8.95 4.89 0.00 2.90 3.03 0.00 0.00 6.92 7.61 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 94 K 7.84 4.04 0.00 1.72 2.03 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.37 7.81 95 D 7.80 4.77 0.00 2.60 2.49 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 96 K 8.56 5.03 0.00 1.97 1.80 0.00 1.22 0.00 0.00 2.36 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 97 V 8.32 4.11 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 0.73 0.00 0.00 0.97 0.00 0.00 98 G 7.64 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.39 5.33 0.00 1.90 1.73 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.44 7.81 100 I 8.95 4.94 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.95 0.00 0.00 101 S 9.08 5.22 0.00 4.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.67 3.96 0.00 1.89 2.04 0.00 3.29 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 103 A 7.91 4.19 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 0.00 104 Q 7.83 4.19 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 105 L 7.99 4.05 0.00 1.84 1.73 0.92 0.99 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 0.00 106 Q 7.88 4.11 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 107 E 8.01 4.00 0.00 2.23 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 0.00 2.33 2.63 0.00 108 I 8.31 3.80 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.97 0.92 0.00 0.00 109 A 8.55 4.00 1.42 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 0.00 0.00 0.00 110 Q 7.89 3.98 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 111 T 7.56 4.09 4.39 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 1.22 0.00 0.00 112 K 8.61 4.18 0.00 1.76 1.86 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.61 7.81 113 A 7.73 3.94 1.42 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 0.00 0.00 0.00 114 A 8.03 3.96 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 0.00 115 D 8.15 4.62 0.00 2.67 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 0.00 116 M 6.93 4.47 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.48 0.00 117 T 8.50 4.13 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 118 G 8.02 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 0.00 119 A 8.82 4.11 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 0.00 120 D 7.63 5.07 0.00 3.00 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 0.00 121 I 8.20 3.72 1.87 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 1.64 1.31 0.91 0.00 0.00 122 E 8.26 3.91 0.00 2.30 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 2.40 2.45 0.00 123 A 8.96 3.99 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 0.00 124 M 7.89 3.99 0.00 2.12 2.24 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 2.76 2.59 0.00 125 T 8.35 3.87 4.39 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 1.28 0.00 0.00 126 R 8.12 4.14 0.00 2.02 2.02 0.00 3.16 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 127 S 8.31 4.13 0.00 4.09 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 0.00 128 I 7.66 3.88 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.88 0.92 0.00 0.00 129 E 8.17 4.06 0.00 2.23 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 2.58 0.00 130 G 8.15 3.69 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 0.00 0.00 0.00 131 T 7.41 4.10 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 132 A 8.21 3.99 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.10 3.87 0.00 1.78 2.02 0.00 3.16 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 134 S 7.58 4.42 0.00 3.98 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 0.00 135 M 8.26 4.42 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.54 0.00 136 G 7.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.72 4.83 0.00 1.53 1.62 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.38 3.93 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 0.82 0.00 0.00 0.93 0.00 0.00 139 V 8.44 5.55 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 1.00 0.00 0.00 0.96 0.00 0.00 140 E 8.67 4.57 0.00 2.04 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 2.28 2.23 0.00 141 D 8.66 4.46 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00