NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3730 8.1627 120.3427 55.0709 33.3221 175.8502 2 S 4.0467 8.4264 115.7950 58.3135 62.5251 173.7505 3 K 3.9072 8.7879 119.7364 58.0852 33.5575 177.6738 4 I 3.2807 7.6745 120.6234 61.1213 36.8373 172.8355 5 V 4.2507 7.8734 108.2802 63.6210 37.8920 174.9391 6 G 4.8882 8.0449 105.3136 46.8492 0.0000 172.6561 7 V 4.9165 7.9260 118.3549 59.9975 35.4805 174.4260 8 T 5.4469 8.3333 115.9183 59.5337 70.5978 172.2224 9 Y 4.8862 8.2839 124.6516 55.5088 41.5845 174.6434 10 P 4.7817 0.0000 0.0000 63.3182 32.6830 172.7276 11 I 3.5038 8.4338 129.9969 59.7904 36.5036 172.4988 12 P 4.5775 0.0000 0.0000 64.6833 31.4581 175.4380 13 K 4.7504 7.7794 116.3853 54.6781 35.6349 176.6688 14 R 4.2798 8.0374 115.9196 57.6440 30.0317 177.8187 15 F 5.0374 7.9443 117.2228 58.2705 38.6042 177.0959 16 M 4.1558 8.2023 120.5322 58.4933 30.9154 178.0080 17 D 4.6837 8.0868 119.7864 55.9711 39.6102 178.6120 18 R 3.8592 7.6230 118.6882 59.5503 30.1148 178.9402 19 F 3.8598 7.3666 116.5142 60.1251 38.4416 177.4985 20 F 4.6127 7.3879 115.9157 59.3812 39.0716 177.7018 21 K 4.1395 8.0952 119.3289 59.0956 32.5013 178.3155 22 K 4.3522 8.1194 117.5286 56.3376 33.2057 178.2380 23 G 4.0260 9.5149 107.8732 45.4118 0.0000 172.9723 24 K 4.6256 7.3384 119.0252 56.0774 34.5635 173.6401 25 D 4.9137 8.9127 127.5875 52.1826 45.7323 173.9768 26 V 4.5063 8.1461 118.6459 60.9736 34.3629 174.1673 27 F 4.9199 8.8586 131.6719 57.2670 40.2639 174.9733 28 V 4.5669 8.3981 119.6754 60.2214 33.4246 175.8303 29 K 4.5057 8.8443 122.8153 53.2232 35.8791 175.6728 30 P 3.0574 0.0000 0.0000 61.8891 30.3049 176.2152 31 A 3.4888 7.5743 122.7897 53.5849 16.0762 176.5678 32 T 4.1868 7.9444 114.0622 65.8745 71.6548 175.8132 33 V 3.5913 7.3820 112.7609 60.7173 33.0034 176.7347 34 W 4.8274 9.0633 123.5667 55.7654 31.0785 177.4262 35 K 4.4288 8.8779 119.3578 58.6973 32.1992 177.6623 36 E 3.8949 8.1197 120.0813 59.3190 29.4384 176.9839 37 L 4.2929 7.7992 120.4308 54.6618 40.2434 175.6119 38 K 4.6216 8.0016 123.0613 53.4243 35.2425 175.1813 39 P 4.3542 0.0000 0.0000 66.5443 30.4078 174.2221 40 G 3.2199 7.5442 116.0776 45.6733 0.0000 171.7316 41 M 5.0998 7.9743 123.2461 53.0536 35.8459 174.7341 42 K 5.0165 8.4201 117.5216 55.8514 36.6177 175.4828 43 F 4.7985 8.6815 122.5628 56.3751 42.0581 173.3004 44 V 3.9985 8.1891 127.5242 62.0704 32.8544 174.9707 45 F 5.0920 8.6134 128.0448 56.8960 39.5793 174.6589 46 Y 4.3641 9.1902 126.4555 57.7679 39.4808 174.5738 47 Q 4.2574 7.8012 124.4687 56.4440 30.5669 175.8443 48 S 4.2678 6.5721 107.9999 57.5934 66.0694 173.2134 49 H 5.0686 8.2383 117.6663 55.4687 30.9946 174.8504 50 E 3.8704 8.6667 119.3015 57.9198 27.0551 174.4683 51 D 4.5271 8.7863 119.8988 57.2936 40.0357 177.0204 52 T 4.3378 7.2961 111.3120 59.4632 67.8324 173.4870 53 G 3.8096 8.1440 118.8528 45.0687 0.0000 168.3209 54 F 4.4503 7.8756 118.9700 57.9100 35.6391 175.6487 55 V 3.8303 8.8621 125.7810 64.1654 32.9776 176.1428 56 G 4.0691 7.7740 105.5861 46.3266 0.0000 171.2360 57 E 5.1335 8.0235 117.3178 55.7957 34.0138 173.1138 58 A 5.0713 8.0993 118.8988 52.1244 23.2470 174.6727 59 R 4.9415 8.6753 115.4740 54.4483 33.4625 175.8387 60 I 4.3777 8.4500 126.1044 61.7324 38.2082 175.8272 61 K 4.8367 8.9267 125.4966 54.8842 36.8106 174.3220 62 R 4.0357 8.8335 117.6706 57.7331 29.3967 176.3611 63 V 4.2318 8.4019 117.8515 60.2982 32.9332 176.0755 64 V 4.0965 8.8032 127.0522 62.0006 32.3714 174.8110 65 L 5.1188 8.5451 129.2613 53.8159 42.5764 176.2651 66 S 4.6974 9.2490 118.1925 57.1220 65.6840 175.1733 67 E 4.9270 8.9209 124.7781 58.1892 29.4318 176.8636 68 N 4.4808 7.7033 117.2354 50.9258 39.9123 174.2464 69 P 3.7049 0.0000 0.0000 65.6663 31.2783 178.2680 70 M 4.3903 7.5685 117.5395 57.5141 31.9319 178.1847 71 Q 4.0777 7.0646 119.5252 58.4142 28.7547 178.8348 72 F 4.5519 7.1812 118.1076 60.0765 38.7066 177.2996 73 F 4.6187 7.7286 115.5423 58.7565 38.8746 176.7566 74 E 4.3145 8.0793 117.2438 58.5345 29.8072 178.6209 75 T 3.7026 7.6133 115.9771 66.4575 68.6873 175.8230 76 F 4.6243 8.0958 117.9527 57.7497 39.9193 176.0952 77 G 4.1353 8.5253 106.8343 46.6835 0.0000 174.7752 78 D 4.3053 8.2478 120.9640 56.6638 42.2109 178.2033 79 R 4.0930 7.9469 117.1535 58.2826 31.2438 177.1635 80 V 4.0727 7.3243 119.5122 62.1677 31.6829 176.1149 81 F 4.2504 8.5965 123.1310 59.1306 37.9409 175.4555 82 L 3.2821 6.1931 117.0134 53.4368 42.6400 175.6599 83 T 4.2033 7.1973 113.4793 60.3271 70.4255 175.0702 84 K 2.8044 7.6658 122.1199 58.8333 31.8199 178.2457 85 D 4.2393 7.6903 119.0219 57.3993 40.8284 178.3861 86 E 4.1788 7.8620 118.5410 58.9841 29.3931 179.0355 87 L 3.9781 7.5128 120.7815 58.0616 42.3501 179.2147 88 K 3.9855 8.0675 119.1463 59.9365 32.4763 178.8951 89 E 4.0659 8.0995 118.9417 59.0719 29.6963 178.6002 90 Y 4.1927 7.9340 120.0910 60.9664 38.8283 177.8459 91 M 4.0659 8.4415 119.7629 58.3037 32.0567 178.9160 92 K 3.9186 7.9939 118.3318 59.4957 32.2000 179.3232 93 S 4.2294 8.2205 113.4559 61.5695 62.1237 176.2990 94 Q 4.0229 8.0126 120.7274 58.3707 28.4669 177.8785 95 E 4.2668 8.0348 118.4116 57.6721 29.9052 178.1280 96 R 4.0055 7.7463 115.7226 56.5325 30.4875 177.0077 97 W 4.8665 7.7414 117.9894 57.6317 30.7942 177.0222 98 G 3.9374 7.8123 108.3566 44.0926 0.0000 172.4576 99 R 4.0994 7.5821 116.1420 55.9037 29.7414 178.0117 100 R 5.3918 7.3159 115.9969 57.3862 32.1448 175.3760 101 R 4.1675 8.0330 120.8532 55.0996 28.3643 174.9284 102 E 4.6793 7.6127 120.8198 54.3296 32.5903 175.6465 103 S 4.5463 7.8028 109.3998 57.4257 64.8175 175.2759 104 K 4.0859 8.8042 127.5670 58.2420 32.3064 176.2185 105 K 4.6951 7.6896 117.6420 54.0553 35.4672 174.7768 106 K 4.5292 8.3594 120.6363 55.5031 34.4018 175.5088 107 K 4.5005 8.4010 120.2438 54.1906 34.5770 174.7306 108 L 4.4648 8.3466 123.6843 54.6548 42.0807 176.1897 109 W 5.0725 9.3467 127.4319 56.1644 31.4492 175.5398 110 M 5.3157 9.2133 118.5231 53.6696 34.2673 173.9826 111 A 4.3691 8.4877 124.9430 49.9376 21.0821 175.0739 112 I 4.1951 8.4018 123.4892 61.5402 38.8786 175.3587 113 E 4.0927 8.6172 128.7499 55.7172 30.6893 175.3099 114 L 5.1162 8.8878 129.3177 53.4639 43.2873 175.7916 115 E 4.7909 8.7874 121.7988 53.6547 33.2262 174.9135 116 D 4.4169 8.3170 116.2809 55.3844 39.2791 174.2989 117 V 4.0359 7.5799 118.6161 62.7630 32.1772 176.4767 118 K 4.4954 8.9076 130.2660 55.8756 34.0074 175.3834 119 K 4.6033 8.3476 121.7816 54.7448 35.2209 176.1071 120 Y 4.7700 8.2005 123.3052 57.0097 37.0675 175.4422 121 D 4.4882 8.7812 124.9454 55.7098 41.6093 177.4263 122 K 4.1912 7.8559 118.6955 55.3733 33.5586 175.0565 123 P 4.5401 0.0000 0.0000 62.4345 31.4050 175.2443 124 I 4.0720 8.0912 126.7063 60.7554 38.4464 175.5916 125 K 4.5599 8.7289 127.5172 54.8831 32.5450 175.3540 126 P 4.6918 0.0000 0.0000 63.1658 31.4180 176.8997 127 K 4.1850 8.9388 122.1411 58.7749 32.3500 176.6326 128 R 4.5857 7.3787 112.9733 54.4755 31.8439 174.2659 129 L 3.8959 8.2812 119.4133 55.5912 40.9504 177.0756 130 V 3.7356 7.1967 122.1599 60.2122 31.3983 173.2881 131 P 4.5834 0.0000 0.0000 61.3998 32.4905 177.6313 132 V 3.7461 8.4243 118.1443 66.3080 31.4115 177.6233 133 G 3.5409 7.9918 107.7578 46.3849 0.0000 174.6345 134 G 3.1216 7.5898 103.8475 45.1243 0.0000 172.4027 135 Q 4.4880 7.5762 117.1285 53.8169 32.4170 175.0023 136 Y 4.6680 8.3170 120.3749 57.1424 38.7077 175.0140 137 L 4.3324 8.5113 128.3795 54.6295 43.1505 175.8034 138 R 4.8731 8.4038 122.4307 54.1772 32.4538 174.8877 139 E 4.1887 8.3919 122.2154 56.4845 29.2733 175.9464 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 8.16 4.37 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 2 S 8.43 4.05 0.00 3.90 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 3 K 8.79 3.91 0.00 1.88 1.91 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.44 7.81 4 I 7.67 3.28 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 0.90 0.00 0.00 5 V 7.87 4.25 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 0.69 0.00 0.00 0.93 0.00 0.00 6 G 8.04 4.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.93 4.92 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 0.02 0.00 0.00 0.54 0.00 0.00 8 T 8.33 5.45 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 1.20 0.00 0.00 9 Y 8.28 4.89 0.00 2.90 2.78 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 10 P 0.00 4.78 0.00 2.26 2.50 0.00 3.62 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.95 0.00 11 I 8.43 3.50 2.04 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.34 1.17 0.00 0.00 12 P 0.00 4.58 0.00 2.39 2.40 0.00 3.95 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 13 K 7.78 4.75 0.00 2.13 1.59 0.00 2.04 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.45 1.57 7.81 14 R 8.04 4.28 0.00 1.52 1.83 0.00 3.26 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 15 F 7.94 5.04 0.00 3.42 3.33 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 16 M 8.20 4.16 0.00 2.34 2.45 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.69 0.00 17 D 8.09 4.68 0.00 3.02 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 18 R 7.62 3.86 0.00 1.62 1.90 0.00 3.47 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 19 F 7.37 3.86 0.00 1.83 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 20 F 7.39 4.61 0.00 3.15 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 21 K 8.10 4.14 0.00 1.91 2.10 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.61 7.81 22 K 8.12 4.35 0.00 2.01 1.99 0.00 1.33 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.47 7.81 23 G 9.51 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 0.00 0.00 0.00 24 K 7.34 4.63 0.00 1.80 1.68 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.57 7.81 25 D 8.91 4.91 0.00 2.27 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 0.00 0.00 0.00 26 V 8.15 4.51 1.56 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 0.25 0.00 0.00 0.02 0.00 0.00 27 F 8.86 4.92 0.00 3.15 2.71 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 28 V 8.40 4.57 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 0.39 0.00 0.00 0.90 0.00 0.00 29 K 8.84 4.51 0.00 1.58 1.56 0.00 1.46 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.57 7.81 30 P 0.00 3.06 0.00 1.35 0.49 0.00 3.72 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 31 A 7.57 3.49 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 32 T 7.94 4.19 4.21 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 1.16 0.00 0.00 33 V 7.38 3.59 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 0.66 0.00 0.00 0.98 0.00 0.00 34 W 9.06 4.83 0.00 3.80 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 35 K 8.88 4.43 0.00 1.92 2.01 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.48 7.81 36 E 8.12 3.89 0.00 1.46 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 0.00 1.47 1.99 0.00 37 L 7.80 4.29 0.00 1.98 1.72 1.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.00 4.62 0.00 1.86 1.76 0.00 1.52 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.45 7.81 39 P 0.00 4.35 0.00 2.23 2.19 0.00 3.78 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 1.99 0.00 40 G 7.54 3.22 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 41 M 7.97 5.10 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.50 0.00 42 K 8.42 5.02 0.00 1.86 1.87 0.00 1.22 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.30 7.81 43 F 8.68 4.80 0.00 2.83 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 0.00 0.00 0.00 44 V 8.19 4.00 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 1.13 0.00 0.00 0.85 0.00 0.00 45 F 8.61 5.09 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 9.19 4.36 0.00 2.98 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 47 Q 7.80 4.26 0.00 2.05 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.45 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 48 S 6.57 4.27 0.00 3.74 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 49 H 8.24 5.07 0.00 3.24 3.28 0.00 6.07 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 50 E 8.67 3.87 0.00 2.12 1.94 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 2.22 2.26 0.00 51 D 8.79 4.53 0.00 2.65 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 52 T 7.30 4.34 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 1.20 0.00 0.00 53 G 8.14 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 54 F 7.88 4.45 0.00 3.35 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 3.83 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 1.07 0.00 0.00 0.76 0.00 0.00 56 G 7.77 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 57 E 8.02 5.13 0.00 1.89 1.85 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 1.98 2.21 0.00 58 A 8.10 5.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.68 4.94 0.00 1.85 1.84 0.00 3.31 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 60 I 8.45 4.38 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.11 1.02 0.00 0.00 61 K 8.93 4.84 0.00 1.82 1.82 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.75 7.81 62 R 8.83 4.04 0.00 1.85 2.06 0.00 3.11 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 63 V 8.40 4.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.98 0.00 0.00 64 V 8.80 4.10 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 1.29 0.00 0.00 1.21 0.00 0.00 65 L 8.55 5.12 0.00 1.66 1.71 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 66 S 9.25 4.70 0.00 3.95 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 67 E 8.92 4.93 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 68 N 7.70 4.48 0.00 2.46 2.48 0.00 0.00 6.79 7.95 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 69 P 0.00 3.70 0.00 1.93 0.69 0.00 3.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.68 0.00 70 M 7.57 4.39 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 71 Q 7.06 4.08 0.00 1.48 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 72 F 7.18 4.55 0.00 2.58 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.73 4.62 0.00 2.97 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 74 E 8.08 4.31 0.00 2.17 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 0.00 2.35 2.24 0.00 75 T 7.61 3.70 3.75 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 0.33 0.00 0.00 76 F 8.10 4.62 0.00 3.10 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 77 G 8.53 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 78 D 8.25 4.31 0.00 2.63 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 79 R 7.95 4.09 0.00 1.82 1.88 0.00 3.35 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 80 V 7.32 4.07 2.27 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 0.53 0.00 0.00 0.75 0.00 0.00 81 F 8.60 4.25 0.00 2.92 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 82 L 6.19 3.28 0.00 1.01 0.56 0.58 -0.38 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 83 T 7.20 4.20 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 84 K 7.67 2.80 0.00 1.30 1.46 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.15 7.81 85 D 7.69 4.24 0.00 2.71 2.65 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 86 E 7.86 4.18 0.00 1.88 1.94 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 2.28 2.04 0.00 87 L 7.51 3.98 0.00 1.41 1.39 1.04 0.56 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 88 K 8.07 3.99 0.00 2.03 1.98 0.00 1.27 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.63 7.81 89 E 8.10 4.07 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 90 Y 7.93 4.19 0.00 3.28 3.33 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 91 M 8.44 4.07 0.00 2.18 2.16 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 3.07 2.93 0.00 92 K 7.99 3.92 0.00 1.95 1.80 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.57 7.81 93 S 8.22 4.23 0.00 4.23 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 94 Q 8.01 4.02 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.46 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 95 E 8.03 4.27 0.00 2.14 2.42 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 2.23 2.47 0.00 96 R 7.75 4.01 0.00 1.36 1.71 0.00 2.68 0.00 0.00 2.77 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 97 W 7.74 4.87 0.00 3.47 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 98 G 7.81 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 99 R 7.58 4.10 0.00 1.99 1.90 0.00 3.27 0.00 0.00 3.17 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 100 R 7.32 5.39 0.00 1.69 1.77 0.00 3.20 0.00 0.00 3.79 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 101 R 8.03 4.17 0.00 1.74 1.82 0.00 3.44 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 102 E 7.61 4.68 0.00 2.09 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 2.31 2.26 0.00 103 S 7.80 4.55 0.00 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.80 4.09 0.00 1.75 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.49 7.81 105 K 7.69 4.70 0.00 1.70 1.66 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.48 7.81 106 K 8.36 4.53 0.00 1.99 1.82 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.57 7.81 107 K 8.40 4.50 0.00 1.92 1.77 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.48 7.81 108 L 8.35 4.46 0.00 1.78 1.67 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 109 W 9.35 5.07 0.00 3.76 3.51 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 0.00 110 M 9.21 5.32 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 111 A 8.49 4.37 0.26 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 0.00 112 I 8.40 4.20 2.03 0.00 0.00 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 1.19 1.19 1.02 0.00 0.00 113 E 8.62 4.09 0.00 2.10 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 2.29 2.24 0.00 114 L 8.89 5.12 0.00 1.97 1.81 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.79 4.79 0.00 2.04 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 2.19 2.24 0.00 116 D 8.32 4.42 0.00 2.94 2.71 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 0.00 117 V 7.58 4.04 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 0.87 0.00 0.00 1.14 0.00 0.00 118 K 8.91 4.50 0.00 1.97 1.61 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.50 7.81 119 K 8.35 4.60 0.00 1.57 1.54 0.00 0.67 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.12 1.17 7.81 120 Y 8.20 4.77 0.00 3.13 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 0.00 121 D 8.78 4.49 0.00 2.69 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 0.00 122 K 7.86 4.19 0.00 1.85 1.80 0.00 1.42 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.35 7.81 123 P 0.00 4.54 0.00 2.10 2.16 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 124 I 8.09 4.07 2.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.30 0.88 0.00 0.00 125 K 8.73 4.56 0.00 1.66 1.81 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.64 7.81 126 P 0.00 4.69 0.00 2.36 2.12 0.00 3.95 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 127 K 8.94 4.18 0.00 1.80 1.94 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.51 7.81 128 R 7.38 4.59 0.00 1.84 1.85 0.00 3.14 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 129 L 8.28 3.90 0.00 1.84 1.75 0.92 0.51 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 0.00 130 V 7.20 3.74 0.67 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 0.59 0.00 0.00 0.31 0.00 0.00 131 P 0.00 4.58 0.00 2.17 1.98 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 132 V 8.42 3.75 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 0.90 0.00 0.00 1.03 0.00 0.00 133 G 7.99 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.59 3.12 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 0.00 135 Q 7.58 4.49 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.81 0.00 0.00 0.00 0.00 0.00 1.99 2.32 0.00 136 Y 8.32 4.67 0.00 2.86 2.80 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 0.00 137 L 8.51 4.33 0.00 1.67 1.50 0.78 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.40 4.87 0.00 1.89 1.81 0.00 3.24 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 139 E 8.39 4.19 0.00 1.95 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 2.28 2.23 0.00