NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0889 8.0549 120.3924 62.5775 32.7210 174.8824 2 L 4.2135 8.2514 126.4879 52.1722 42.6534 175.8588 3 S 4.5671 8.7028 117.6586 57.5331 66.3876 174.8130 4 E 4.2305 8.8428 122.6606 59.6463 29.1975 179.1298 5 G 3.6478 8.1353 105.1725 47.8161 0.0000 175.3882 6 E 3.9724 8.3011 120.8930 58.9735 29.4477 179.3255 7 W 4.3420 8.4210 119.4018 59.8226 29.0528 178.3815 8 Q 4.0917 8.6015 119.7725 58.9725 28.0262 178.2475 9 L 4.0655 7.8018 120.4654 57.5688 41.6391 179.5486 10 V 3.7675 7.8148 117.8914 66.2652 31.6244 178.1670 11 L 4.3451 8.4573 118.4098 57.3361 41.2094 179.0647 12 H 4.1635 8.1649 118.3983 59.3609 30.3421 177.4477 13 V 3.7351 7.7273 120.4756 64.4039 31.3768 178.0425 14 W 3.9209 8.4388 128.9849 60.1413 30.2787 177.7742 15 A 4.0331 7.9043 120.0642 54.9147 18.0258 179.4018 16 K 3.9472 7.6954 116.9999 59.2145 32.1091 179.6341 17 V 2.9344 7.0517 118.1740 65.6449 31.0958 177.3585 18 E 3.9302 7.3259 115.5208 57.9209 29.3323 178.3608 19 A 4.2379 7.6196 120.5750 53.5791 20.0387 177.6839 20 D 4.6558 7.7304 116.5605 52.2595 42.8561 175.5725 21 V 3.4542 7.8819 122.9583 65.4455 32.1523 176.8098 22 A 4.0799 7.9728 120.2800 54.9397 18.2854 179.7495 23 G 3.7770 8.0028 105.0579 47.8417 0.0000 175.5008 24 H 4.1328 8.0348 118.9349 58.4451 28.6867 178.2446 25 G 3.5619 8.1103 107.5534 47.6085 0.0000 175.6822 26 Q 3.8270 7.8917 121.3920 59.0586 29.0713 177.9464 27 D 4.2832 8.0119 119.9302 57.2849 40.8016 178.7018 28 I 3.6124 7.7091 120.1754 64.5137 37.1227 178.3808 29 L 3.4060 7.5891 119.5109 57.7211 41.3579 179.8722 30 I 3.5806 7.3261 119.1807 64.2178 36.9992 178.4176 31 R 3.8156 7.9782 119.6772 59.1272 29.8006 178.3010 32 L 3.9261 7.7908 120.0650 58.3785 42.0265 179.0639 33 F 4.5701 7.9450 117.7697 60.4005 38.5205 178.0154 34 K 4.0009 7.9731 117.3790 59.7484 32.1169 179.4404 35 S 4.2418 7.9456 113.8752 60.5268 64.1570 174.6137 36 H 4.7096 8.4011 118.8864 51.9072 28.8987 172.0045 37 P 4.7370 0.0000 0.0000 64.1078 30.8591 177.9098 38 E 4.1902 8.1100 117.7166 59.2863 29.7705 178.8103 39 T 3.9483 8.0058 111.3500 64.5553 68.7927 176.2661 40 L 3.7890 7.7675 121.4762 57.1743 41.8009 178.2137 41 E 4.0636 7.6665 118.1887 58.5681 29.7633 177.5738 42 K 4.0873 7.8541 116.2669 57.5858 32.6049 176.6885 43 F 4.6850 7.8889 119.1016 55.4736 39.4952 175.9135 44 D 4.3771 8.7271 127.0702 57.2988 40.9120 179.2350 45 R 3.6358 7.9650 117.6806 58.5367 30.0913 176.5856 46 F 5.0505 7.8189 113.3432 56.7289 40.4922 176.3739 47 K 4.2370 7.7315 119.1081 58.2099 32.2626 177.3566 48 H 4.5337 7.9929 114.5975 56.6158 29.2759 175.2273 49 L 4.3205 7.6747 121.8415 54.4654 42.0790 176.1511 50 K 4.3333 9.3702 123.3267 57.5854 33.9841 177.2944 51 T 4.5717 7.5029 107.9962 59.8389 72.3253 174.9840 52 E 3.9218 8.5065 121.3273 59.1612 29.6807 178.5170 53 A 3.9727 7.9493 120.4284 55.3303 18.2718 179.2355 54 E 3.9271 8.0115 115.6387 59.9243 29.6838 179.2961 55 M 4.1819 8.0530 118.6597 58.3137 31.7803 179.0238 56 K 3.9628 8.2998 118.0479 59.1811 32.2984 178.8652 57 A 4.3019 7.8386 119.6320 52.8076 18.6045 177.3312 58 S 4.2785 7.4944 113.7776 57.6242 62.7953 174.4710 59 E 4.0026 8.8664 129.2780 59.2368 29.4686 177.9753 60 D 4.4330 8.1521 117.8803 57.2694 41.4088 177.8186 61 L 3.4916 7.9876 120.6498 57.7144 42.0520 178.8222 62 K 3.8788 7.7820 119.4157 59.2984 32.1351 178.8661 63 K 3.9661 8.1332 118.7490 59.9526 32.0657 178.8472 64 H 4.3954 8.6474 118.5265 58.9953 29.7538 177.4182 65 G 3.5824 8.1128 107.8017 47.7394 0.0000 175.7033 66 V 3.6034 7.5974 120.3927 66.1159 31.5564 178.0908 67 T 3.8855 7.9478 115.3651 66.6799 68.2558 176.7831 68 V 3.5876 7.6905 119.9954 66.1432 31.5932 178.2115 69 L 4.3319 8.0837 118.5785 57.7848 41.3630 179.6613 70 T 3.9824 8.2512 115.9942 66.5919 68.3604 176.6482 71 A 4.0414 8.0625 122.7946 54.9718 18.3063 179.5178 72 L 3.9046 8.1398 119.1272 58.0946 42.1559 179.3279 73 G 3.2753 8.5177 105.9109 47.6937 0.0000 175.5180 74 A 4.0644 7.6295 121.7637 54.6908 18.6647 179.5540 75 I 3.8837 7.1744 117.2573 64.4576 37.2379 178.5263 76 L 4.0361 7.8458 120.0040 57.6064 41.1891 179.5069 77 K 3.9835 7.7225 116.9464 58.2741 32.1975 178.5413 78 K 4.0107 7.6949 117.5826 55.7076 32.6845 176.5367 79 K 2.0000 8.4826 118.9920 56.4338 29.9388 174.8406 80 G 3.9703 7.9151 105.9485 45.9290 0.0000 174.2086 81 H 4.4868 7.5788 119.1617 54.8244 27.2766 174.6627 82 H 5.0684 7.3686 112.4847 55.0582 29.8035 176.1848 83 E 3.9334 8.6548 122.2681 60.3002 28.9932 178.8524 84 A 4.0289 8.0224 118.2207 54.6740 18.5345 178.4671 85 E 4.2892 8.1089 115.2315 57.7124 30.3704 177.4548 86 L 4.3247 7.9932 120.1141 56.6209 42.5194 178.2417 87 K 3.8899 8.1489 120.1217 59.0961 32.2228 177.0662 88 P 4.4871 0.0000 0.0000 65.2214 31.2242 178.1337 89 L 3.9799 7.9050 120.1654 58.0654 42.1120 178.3293 90 A 4.1611 8.2418 120.9714 55.2987 18.2907 179.4890 91 Q 3.7935 8.1094 116.6570 59.2288 28.7915 179.4287 92 S 3.9551 7.9781 115.0894 61.8385 63.0190 176.1965 93 H 3.9309 8.4071 119.5038 57.9270 27.9826 177.7235 94 A 2.9539 7.7934 123.1730 54.8002 18.0533 179.5127 95 T 3.7260 7.0691 107.4704 62.0836 69.3697 175.7790 96 K 4.2047 7.4438 118.9879 58.1654 33.3786 177.1486 97 H 4.3852 7.8502 113.7318 55.6969 29.6116 175.3443 98 K 3.8026 7.5638 116.8505 56.2239 28.5736 174.8633 99 I 4.2605 8.3372 118.7813 58.4869 38.7625 174.8515 100 P 4.4867 0.0000 0.0000 62.1386 32.0726 177.3283 101 I 3.3769 8.3662 120.9670 64.6743 36.8228 178.4459 102 K 3.6863 7.8525 119.7656 59.6076 31.9682 178.2959 103 Y 4.0777 8.1123 117.4058 60.8607 37.8535 178.2053 104 L 4.1896 7.8396 119.8403 57.5126 41.7496 179.2059 105 E 3.9713 7.8353 119.1134 59.2494 29.6930 178.5986 106 F 4.5123 7.7564 117.9312 60.8017 38.8921 177.5453 107 I 3.8857 8.1739 118.1900 63.9652 37.7563 178.1164 108 S 4.1764 8.1534 116.1225 61.5788 62.5890 176.5125 109 E 4.0464 8.3227 120.7710 59.3052 29.2417 179.0475 110 A 4.0218 8.0870 120.8654 55.2803 18.3556 179.7530 111 I 3.6579 8.0345 118.2157 64.6543 37.2612 178.6507 112 I 3.8371 7.8483 120.5876 64.6829 36.9841 177.9063 113 H 4.1395 8.4999 119.0710 59.3668 29.6359 177.4998 114 V 3.5365 7.8316 119.9460 66.0330 31.3922 177.9827 115 L 3.7328 7.9583 118.7365 57.7813 40.9925 179.0889 116 H 4.3918 7.8827 117.7179 59.2833 29.9043 177.2115 117 S 4.1248 7.7812 116.0450 61.2726 62.7771 176.1840 118 R 4.1820 7.8698 118.5366 56.7670 31.4131 176.3128 119 H 5.0126 7.9298 116.1761 53.6819 29.5744 172.8507 120 P 4.2837 0.0000 0.0000 65.7496 31.8855 178.7838 121 G 3.6857 8.2488 107.1515 48.5435 0.0000 174.0188 122 D 4.8438 8.0967 117.1177 53.7117 41.4654 176.6836 123 F 5.0108 7.8323 119.7139 56.5238 39.4021 174.2223 124 G 3.8963 7.5817 109.4950 43.8829 0.0000 171.8514 125 A 3.9771 8.4579 120.7927 55.1889 18.1063 179.6065 126 D 4.1780 7.9150 117.0397 56.4792 39.5687 178.6008 127 A 3.8972 7.6737 121.7691 54.6582 18.4973 179.0714 128 Q 3.2861 7.8548 118.6309 58.9779 29.0311 178.8796 129 G 3.4942 8.1303 106.5791 47.8017 0.0000 175.3532 130 A 3.8661 7.9620 123.8697 55.0114 18.3781 179.4444 131 M 4.0211 8.3295 116.8999 58.7353 32.3625 177.9460 132 N 4.3636 8.2395 117.3344 56.5966 39.1169 177.0861 133 K 3.9403 8.1937 119.8075 59.2485 32.1921 179.2242 134 A 3.8480 7.8394 121.1062 55.1435 18.2674 179.7537 135 L 4.0671 8.0525 117.4978 57.7805 41.6628 179.6217 136 E 3.9882 8.3316 118.8000 59.3182 29.4936 178.9769 137 L 4.0865 8.0743 120.3999 58.0577 42.0684 178.8954 138 F 4.1547 8.2038 120.4168 61.3085 39.4034 177.3956 139 R 3.5112 8.0289 117.6373 58.9790 29.8956 178.7074 140 K 3.7563 8.4144 119.7262 59.9734 32.2534 178.5030 141 D 4.3975 7.9853 118.5594 57.1323 40.6925 178.8900 142 I 3.6967 7.3852 120.4456 63.9769 36.9319 178.2136 143 A 3.7187 8.3141 121.7938 55.0227 18.2714 179.4077 144 A 3.9341 7.9481 119.2810 55.2702 18.3556 180.1561 145 K 3.9642 7.7434 115.5135 59.8608 32.1388 178.9878 146 Y 4.0750 8.2970 117.0587 61.1972 37.6843 178.9343 147 K 3.9203 8.5061 120.5613 59.3770 32.0755 178.3104 148 E 3.9394 7.7739 118.1079 59.3844 29.7210 178.3957 149 L 4.3183 7.8887 116.0343 54.8312 42.6265 176.5287 150 G 3.6647 8.1315 106.2505 46.9140 0.0000 173.6115 151 Y 4.6476 8.8491 112.5530 57.3004 40.4763 178.0449 152 Q 4.0405 8.4238 122.3022 60.0676 29.4809 176.1148 153 G 4.0534 8.2969 109.4388 45.8244 0.0000 173.2990 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 V 8.05 4.09 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 1.07 0.00 0.00 0.96 0.00 0.00 2 L 8.25 4.21 0.00 0.94 0.73 0.52 -0.75 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 3 S 8.70 4.57 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 8.84 4.23 0.00 2.19 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 8.14 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.30 3.97 0.00 2.03 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 2.22 2.27 0.00 7 W 8.42 4.34 0.00 3.54 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.60 4.09 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 9 L 7.80 4.07 0.00 1.94 1.74 0.90 0.82 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 10 V 7.81 3.77 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 1.28 0.00 0.00 0.94 0.00 0.00 11 L 8.46 4.35 0.00 1.86 1.82 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.16 4.16 0.00 3.33 3.58 0.00 5.95 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.73 3.74 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 1.02 0.00 0.00 0.83 0.00 0.00 14 W 8.44 3.92 0.00 3.68 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 15 A 7.90 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 7.70 3.95 0.00 1.64 1.64 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.33 1.43 7.81 17 V 7.05 2.93 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 0.00 0.00 0.02 0.00 0.00 0.36 0.00 0.00 18 E 7.33 3.93 0.00 2.04 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 2.19 2.14 0.00 19 A 7.62 4.24 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 20 D 7.73 4.66 0.00 2.65 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.88 3.45 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 0.88 0.00 0.00 22 A 7.97 4.08 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 8.00 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.03 4.13 0.00 3.08 3.24 0.00 5.82 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 8.11 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 0.00 0.00 0.00 26 Q 7.89 3.83 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 27 D 8.01 4.28 0.00 2.82 2.62 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 28 I 7.71 3.61 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 1.51 0.71 0.88 0.00 0.00 29 L 7.59 3.41 0.00 1.31 0.84 0.74 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.33 3.58 1.96 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 0.82 0.87 0.00 0.00 31 R 7.98 3.82 0.00 1.90 2.11 0.00 3.03 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 32 L 7.79 3.93 0.00 1.78 1.47 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.94 4.57 0.00 3.00 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 34 K 7.97 4.00 0.00 1.79 1.83 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.57 7.81 35 S 7.95 4.24 0.00 3.73 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.71 0.00 3.07 2.99 0.00 5.63 0.00 0.00 0.00 0.00 6.85 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 4.74 0.00 2.26 2.39 0.00 3.80 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 2.06 1.87 0.00 38 E 8.11 4.19 0.00 2.29 2.31 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 2.08 2.39 0.00 39 T 8.01 3.95 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 0.95 0.00 0.00 40 L 7.77 3.79 0.00 1.34 1.75 0.14 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.67 4.06 0.00 2.01 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 0.00 2.37 2.37 0.00 42 K 7.85 4.09 0.00 2.01 1.71 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.87 7.81 43 F 7.89 4.68 0.00 3.02 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 44 D 8.73 4.38 0.00 2.67 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 45 R 7.97 3.64 0.00 1.49 1.26 0.00 2.97 0.00 0.00 2.81 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00 46 F 7.82 5.05 0.00 2.90 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 47 K 7.73 4.24 0.00 1.98 2.25 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.40 7.81 48 H 7.99 4.53 0.00 3.30 3.46 0.00 5.52 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 7.67 4.32 0.00 1.64 1.59 0.93 0.68 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 50 K 9.37 4.33 0.00 1.82 1.82 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.37 1.33 7.81 51 T 7.50 4.57 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 1.21 0.00 0.00 52 E 8.51 3.92 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 2.35 0.00 53 A 7.95 3.97 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 54 E 8.01 3.93 0.00 2.17 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 2.35 2.36 0.00 55 M 8.05 4.18 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.58 0.00 56 K 8.30 3.96 0.00 1.82 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.57 7.81 57 A 7.84 4.30 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 58 S 7.49 4.28 0.00 3.84 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 59 E 8.87 4.00 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 2.39 2.45 0.00 60 D 8.15 4.43 0.00 2.91 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 61 L 7.99 3.49 0.00 1.39 1.61 -0.15 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.78 3.88 0.00 1.93 2.01 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.13 3.97 0.00 2.19 1.93 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.71 7.81 64 H 8.65 4.40 0.00 3.64 3.47 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 8.11 3.58 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 0.00 0.00 0.00 66 V 7.60 3.60 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 1.03 0.00 0.00 0.99 0.00 0.00 67 T 7.95 3.89 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 68 V 7.69 3.59 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 1.07 0.00 0.00 0.99 0.00 0.00 69 L 8.08 4.33 0.00 1.82 1.89 0.92 0.73 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 70 T 8.25 3.98 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 1.26 0.00 0.00 71 A 8.06 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.14 3.90 0.00 1.71 1.57 0.17 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.52 3.28 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 0.00 74 A 7.63 4.06 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 7.17 3.88 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.99 0.98 0.00 0.00 76 L 7.85 4.04 0.00 1.24 1.58 -0.19 1.08 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 77 K 7.72 3.98 0.00 1.67 1.81 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.52 7.81 78 K 7.69 4.01 0.00 1.89 1.85 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.59 7.81 79 K 8.48 2.00 0.00 1.14 0.74 0.00 1.42 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.93 7.81 80 G 7.92 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.58 4.49 0.00 3.15 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.37 5.07 0.00 3.28 3.46 0.00 5.50 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.65 3.93 0.00 2.12 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 2.40 2.48 0.00 84 A 8.02 4.03 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 85 E 8.11 4.29 0.00 2.08 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 2.27 2.42 0.00 86 L 7.99 4.32 0.00 1.76 1.69 0.75 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.15 3.89 0.00 1.96 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.46 7.81 88 P 0.00 4.49 0.00 2.32 2.31 0.00 3.74 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 2.03 0.00 89 L 7.90 3.98 0.00 1.84 1.96 0.94 1.24 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 90 A 8.24 4.16 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.11 3.79 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 92 S 7.98 3.96 0.00 3.96 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 8.41 3.93 0.00 3.50 3.51 0.00 5.81 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 7.79 2.95 -0.02 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 95 T 7.07 3.73 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 0.93 0.00 0.00 96 K 7.44 4.20 0.00 1.54 1.65 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.27 7.81 97 H 7.85 4.39 0.00 2.98 3.19 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.56 3.80 0.00 1.86 1.84 0.00 1.75 0.00 0.00 0.79 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.51 7.81 99 I 8.34 4.26 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 1.06 0.00 0.00 100 P 0.00 4.49 0.00 1.95 2.00 0.00 2.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.41 0.00 101 I 8.37 3.38 1.72 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.41 0.73 0.00 0.00 102 K 7.85 3.69 0.00 1.74 1.70 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 0.73 7.81 103 Y 8.11 4.08 0.00 3.07 3.04 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 0.00 104 L 7.84 4.19 0.00 1.75 1.83 0.64 1.37 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 0.00 105 E 7.84 3.97 0.00 1.95 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 2.46 2.43 0.00 106 F 7.76 4.51 0.00 3.24 2.81 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 0.00 107 I 8.17 3.89 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 1.57 1.61 1.08 0.00 0.00 108 S 8.15 4.18 0.00 4.22 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.32 4.05 0.00 2.30 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 2.70 2.60 0.00 110 A 8.09 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.03 3.66 2.12 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 1.59 0.78 1.03 0.00 0.00 112 I 7.85 3.84 2.15 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 1.66 1.10 1.15 0.00 0.00 113 H 8.50 4.14 0.00 3.36 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.83 3.54 2.16 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 0.97 0.00 0.00 1.00 0.00 0.00 115 L 7.96 3.73 0.00 1.00 0.54 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.88 4.39 0.00 3.51 3.56 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.78 4.12 0.00 3.92 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 0.00 118 R 7.87 4.18 0.00 1.34 1.58 0.00 2.84 0.00 0.00 2.86 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 119 H 7.93 5.01 0.00 3.20 3.17 0.00 5.63 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 0.00 120 P 0.00 4.28 0.00 2.17 2.13 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 121 G 8.25 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 0.00 122 D 8.10 4.84 0.00 2.77 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 0.00 123 F 7.83 5.01 0.00 2.95 3.06 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 0.00 124 G 7.58 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 0.00 0.00 0.00 0.00 125 A 8.46 3.98 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 0.00 126 D 7.91 4.18 0.00 2.86 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 0.00 127 A 7.67 3.90 1.24 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 0.00 128 Q 7.85 3.29 0.00 1.59 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 129 G 8.13 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 0.00 130 A 7.96 3.87 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 0.00 131 M 8.33 4.02 0.00 2.35 2.42 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.86 0.00 132 N 8.24 4.36 0.00 2.96 2.97 0.00 0.00 7.20 6.36 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 0.00 133 K 8.19 3.94 0.00 1.83 1.68 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.51 7.81 134 A 7.84 3.85 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 0.00 135 L 8.05 4.07 0.00 1.89 1.79 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.33 3.99 0.00 2.20 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 2.34 2.55 0.00 137 L 8.07 4.09 0.00 1.82 2.00 1.00 0.95 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 0.00 138 F 8.20 4.15 0.00 3.09 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 0.00 139 R 8.03 3.51 0.00 2.05 1.86 0.00 3.15 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.02 0.00 140 K 8.41 3.76 0.00 1.78 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.48 7.81 141 D 7.99 4.40 0.00 2.75 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 7.39 3.70 1.48 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.06 0.42 0.00 0.00 143 A 8.31 3.72 1.24 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 0.00 144 A 7.95 3.93 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 7.74 3.96 0.00 2.15 1.92 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.64 7.81 146 Y 8.30 4.08 0.00 3.11 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 0.00 147 K 8.51 3.92 0.00 1.93 2.00 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.77 3.94 0.00 2.04 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 0.00 2.34 2.37 0.00 149 L 7.89 4.32 0.00 1.93 1.89 0.81 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.13 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 0.00 0.00 0.00 151 Y 8.85 4.65 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.42 4.04 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.07 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 153 G 8.30 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