NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4488 8.3049 120.3495 55.0882 33.5437 174.9966 2 E 4.1147 8.5956 125.5717 55.9857 30.7921 174.3305 3 L 5.1889 8.6166 122.3267 53.6928 45.8320 175.0754 4 T 4.7707 8.8980 114.3961 61.4360 71.0736 172.0771 5 T 5.2965 8.4913 109.8811 60.2508 72.1359 173.1175 6 R 4.7331 8.8491 121.3004 55.2226 34.2988 173.5744 7 T 5.0420 8.3562 120.6685 61.7109 70.5413 174.0790 8 L 4.3424 9.3728 129.0293 53.4436 42.6721 175.6206 9 P 4.6086 0.0000 0.0000 62.2860 32.1150 176.2829 10 A 4.0542 8.4883 121.7632 54.4838 18.3692 177.9998 11 R 4.1702 7.6880 117.0222 55.2632 29.5854 175.7110 12 K 4.4381 8.5132 125.1254 56.2420 34.3146 176.1330 13 H 5.2401 9.4904 120.7986 54.7785 30.3195 173.7760 14 I 5.0213 9.2526 125.3776 59.5079 39.6002 174.7520 15 A 5.1868 9.0830 129.1295 50.3956 21.3157 175.5446 16 L 5.0348 9.0372 123.1210 52.9058 44.5211 175.9328 17 V 4.7035 8.8809 123.6384 61.0845 35.0468 173.9793 18 A 5.3643 8.4786 128.3028 50.8932 22.4390 175.6679 19 H 4.7709 9.2869 118.7370 55.4502 30.1034 176.3539 20 D 4.4473 9.2109 120.9217 58.3269 40.6727 179.1956 21 H 4.4248 8.3036 112.5137 57.6064 29.0883 176.1476 22 C 4.7732 8.4475 116.9891 59.3099 28.5785 175.6258 23 K 4.1262 8.0600 124.6761 60.2667 31.6977 179.7236 24 Q 4.0873 8.1420 120.4315 60.4335 28.0416 180.1257 25 M 4.3619 8.1384 120.2372 58.4246 32.1280 178.5587 26 L 4.1876 8.2673 120.3995 58.2413 42.1277 178.6664 27 M 4.0872 8.4839 119.0626 58.6818 31.9054 178.7968 28 S 4.1661 8.2158 114.9240 61.4619 62.8568 176.5383 29 W 4.2295 8.1510 129.5409 60.6132 30.8002 177.8094 30 V 3.6432 8.6520 118.4250 66.1044 30.7720 177.8033 31 E 3.9608 8.4961 118.6139 59.5543 29.1008 179.5061 32 R 3.9623 8.1199 116.7722 58.0621 30.2672 177.1105 33 H 4.5320 7.2066 114.2173 55.2144 29.5854 175.4234 34 Q 3.8795 7.6212 122.8992 59.2112 28.4508 176.9572 35 P 4.1719 0.0000 0.0000 65.7033 31.5519 177.8747 36 L 4.1922 7.7130 118.2725 57.9253 42.2349 178.6961 37 L 4.2366 8.2219 119.0228 57.4880 41.3153 179.0100 38 E 4.1358 8.3503 117.8868 58.4804 29.4302 178.1471 39 Q 4.3339 7.7331 116.0399 56.0960 29.4108 174.2385 40 H 4.9620 7.8164 116.7547 53.8380 32.6498 173.1106 41 V 4.1882 8.5987 119.4188 61.8186 32.8588 174.5570 42 L 5.2540 8.3229 127.6508 53.5768 44.0561 175.1178 43 Y 5.2336 9.1276 119.7453 56.6739 42.6400 174.0435 44 A 5.2282 8.6447 120.8613 52.2806 23.6232 176.0124 45 T 4.0072 8.4287 109.7988 61.2272 70.5919 175.0482 46 G 3.7954 9.0080 106.1050 49.1311 0.0000 176.1144 47 T 3.8994 7.7280 116.1014 66.0225 68.9856 176.7914 48 T 3.9790 8.0251 117.2153 66.7709 68.5421 176.3957 49 G 3.7644 8.5552 107.6672 48.2277 0.0000 175.3600 50 N 4.4102 8.0895 118.4281 55.9314 38.5918 177.6397 51 L 4.0600 8.0969 120.5036 57.6064 41.6015 179.6334 52 I 3.7315 7.9302 120.0670 64.5195 37.0669 178.7385 53 S 4.3206 8.2204 117.5520 62.0983 62.6036 177.2863 54 R 3.9148 8.0593 123.2259 60.5205 29.1633 180.7945 55 A 4.6161 7.6655 118.3103 53.7529 19.6969 178.4888 56 T 4.3608 8.2611 106.4689 60.9191 70.0245 176.1427 57 G 3.9116 8.1974 109.1041 45.7828 0.0000 173.7973 58 M 4.1908 7.6604 119.0483 54.9948 32.5547 175.2731 59 N 4.6238 8.4318 119.4693 52.5223 39.6125 174.3158 60 V 4.3906 8.0781 125.2914 61.1807 34.5190 175.2704 61 N 4.6379 8.9981 126.1607 52.5124 38.1776 173.0044 62 A 4.7317 8.2536 124.9807 51.8861 19.4727 176.8568 63 M 4.6030 8.8412 124.1647 54.2670 35.5116 175.8452 64 L 4.2099 8.9820 119.8688 55.0165 43.4312 176.8898 65 S 4.3520 8.6577 115.2931 58.5870 63.3504 174.9557 66 G 3.8372 9.1184 115.1345 48.5187 0.0000 174.1141 67 P 4.0628 0.0000 0.0000 64.6343 31.3981 177.1179 68 M 4.3170 7.8479 115.5883 54.8199 32.2620 175.8993 69 G 3.8526 8.2412 107.9979 45.5216 0.0000 176.6244 70 G 3.7146 8.7887 108.4522 48.2405 0.0000 175.5313 71 D 4.2925 8.0115 120.5564 57.1908 40.8480 178.7287 72 Q 3.9890 7.9998 118.0891 58.6575 28.7909 178.4633 73 Q 3.9379 8.0029 119.3944 58.8614 28.7386 178.9032 74 V 3.5669 7.9009 119.3649 65.8918 31.5954 178.2129 75 G 3.5935 8.2892 105.4890 47.7331 0.0000 175.3913 76 A 3.9398 8.3197 123.5750 54.9531 18.3230 179.6929 77 L 3.7748 7.7929 117.4026 57.8468 41.6098 179.9141 78 I 3.5163 7.6510 120.0004 64.3374 36.8757 178.7155 79 S 2.7900 7.6637 113.4038 60.3073 62.8681 175.3057 80 E 4.0186 7.3533 119.9215 55.5799 29.4234 176.8423 81 G 3.6321 7.1254 107.0389 46.1606 0.0000 174.7095 82 K 4.1434 7.8908 117.6642 55.8456 32.7104 176.6306 83 I 4.3819 7.2126 119.6416 59.5000 39.7710 174.6867 84 D 4.8325 9.0541 124.4959 54.8090 42.7260 177.0657 85 V 4.6925 7.6046 117.5448 60.9804 35.5221 173.4636 86 L 5.0731 8.8854 129.1360 53.4187 44.8830 174.9673 87 I 4.6037 8.9341 128.2622 59.7938 39.0778 174.4727 88 F 5.3106 9.3915 131.3289 56.5885 41.2571 173.4550 89 F 5.6423 9.4404 126.9987 56.2004 37.9647 175.1188 90 W 4.5666 7.9954 119.5451 55.1915 29.9681 176.1062 91 D 4.4082 9.1063 121.6816 52.9827 40.3635 174.3424 92 P 4.3809 0.0000 0.0000 63.4368 31.7813 176.4826 93 L 4.7474 8.2353 118.3320 54.3442 42.3206 175.7238 94 N 4.9427 7.8307 114.4257 51.6114 42.5310 173.8191 95 A 4.3575 8.5405 125.1722 51.5799 19.6765 177.1163 96 V 4.4511 8.0896 116.1983 58.5171 33.8773 175.1765 97 P 4.2971 0.0000 0.0000 65.9694 31.3537 176.9166 98 H 4.8446 8.0519 114.3956 55.3764 29.9909 176.7659 99 D 4.2712 7.7723 123.5441 58.1954 41.0064 175.2570 100 P 4.2267 0.0000 0.0000 66.1490 31.0571 178.0558 101 D 4.3454 8.0819 118.1098 56.9084 40.8388 178.6156 102 V 3.7899 7.6842 118.6326 66.2738 31.6028 178.3283 103 K 3.8217 8.3478 118.2293 59.2231 31.8007 179.3121 104 A 3.9996 8.3628 121.6351 54.8522 18.2854 179.4452 105 L 3.9028 8.1657 118.9859 58.4752 42.1320 179.3362 106 L 4.1141 7.9428 118.7917 57.6014 41.4500 179.5431 107 R 3.8864 8.0185 118.9543 59.3167 29.9342 178.6203 108 L 4.0549 8.0792 118.6912 57.7935 41.5469 179.3476 109 A 4.1026 8.1971 120.5936 55.1274 18.3356 179.9868 110 T 3.9047 7.6131 114.7891 66.6539 68.4463 177.1716 111 V 3.3612 7.5307 119.1215 65.8266 31.4517 176.8770 112 W 4.3275 8.2847 116.1691 56.2892 29.3592 175.4905 113 N 4.1711 7.6853 116.2612 54.8634 37.0995 173.2402 114 I 4.6800 7.2623 110.0797 58.2246 40.9479 175.0983 115 P 4.4605 0.0000 0.0000 63.2407 32.2862 175.4201 116 V 5.1033 8.4892 122.8893 61.0611 34.7314 174.1869 117 A 4.9690 9.2055 128.9861 50.4358 21.6332 176.4609 118 T 5.4091 9.1201 110.2940 60.6176 70.1727 173.7054 119 N 4.2131 7.4411 119.3659 50.2960 41.6131 175.1208 120 V 3.4139 7.5541 119.4561 65.8704 31.6294 177.7305 121 A 4.0927 7.8190 120.0361 55.7181 18.3086 179.6709 122 T 3.8864 8.5230 114.2455 66.4865 68.4829 176.9706 123 A 3.9948 8.0328 122.8963 55.2538 18.3805 179.4409 124 D 4.5985 8.6953 117.7419 57.7256 40.7243 179.0417 125 F 3.9270 8.2803 117.0188 60.4254 39.1831 177.6718 126 I 4.0175 8.0685 119.4819 64.5859 36.8544 178.4190 127 I 2.6377 7.6596 117.7937 63.3967 37.8219 177.0678 128 Q 4.1582 7.7045 116.5319 55.6039 29.5159 176.1695 129 S 4.2835 7.6221 116.8136 57.1407 63.0543 172.4194 130 P 4.2094 0.0000 0.0000 66.7439 30.8586 177.5178 131 H 5.2384 8.0450 113.3179 54.9107 28.4251 177.0575 132 F 4.1790 8.2852 123.9078 60.3939 39.2471 175.5506 133 N 5.0897 7.8147 115.0701 52.9759 39.3486 173.6105 134 D 5.1008 7.6278 118.3079 52.1332 44.3148 175.3046 135 A 4.5001 8.3994 122.0765 52.0734 19.2854 177.5084 136 V 4.4143 8.7013 114.9449 59.5500 35.9582 174.5775 137 D 5.3129 8.7761 124.7310 53.2771 41.7366 175.7763 138 I 4.6073 8.7207 118.0869 58.8804 40.7425 174.7379 139 L 5.0005 8.4726 124.5019 54.4249 42.4418 176.1433 140 I 4.8963 8.7716 117.0059 57.8986 41.4867 173.0445 141 P 4.4306 0.0000 0.0000 63.0791 32.1698 176.8892 142 D 4.6918 9.0722 122.5463 53.2122 40.4302 176.1935 143 Y 4.2630 8.7449 129.6557 61.0599 39.0397 177.9844 144 Q 4.0636 8.5430 123.4875 61.1670 28.2799 181.4786 145 R 4.1611 7.9821 123.0100 61.1225 29.2207 180.1845 146 Y 4.1481 8.0057 120.0791 60.6214 38.8753 178.0399 147 L 3.4023 8.0490 121.3169 57.8195 41.5985 178.5945 148 A 3.9336 7.8859 120.7287 55.3809 18.0205 179.4016 149 D 4.2910 7.5424 116.0259 57.4048 40.9195 178.8902 150 R 3.9334 7.1407 117.9668 58.4626 30.1400 178.0415 151 L 4.3888 7.6584 118.5542 55.3133 42.0721 178.0842 152 K 4.1737 7.2910 128.2404 57.2229 31.7832 181.5301 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.45 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 2 E 8.60 4.11 0.00 2.04 1.86 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 2.41 2.37 0.00 3 L 8.62 5.19 0.00 1.50 1.55 0.91 0.73 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 4 T 8.90 4.77 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 1.34 0.00 0.00 5 T 8.49 5.30 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 1.23 0.00 0.00 6 R 8.85 4.73 0.00 1.91 1.79 0.00 3.01 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 7 T 8.36 5.04 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 1.24 0.00 0.00 8 L 9.37 4.34 0.00 1.51 1.55 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.61 0.00 2.28 2.06 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 10 A 8.49 4.05 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 11 R 7.69 4.17 0.00 1.74 1.83 0.00 3.20 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 12 K 8.51 4.44 0.00 1.46 1.53 0.00 1.48 0.00 0.00 1.80 0.00 0.00 2.48 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 0.60 7.81 13 H 9.49 5.24 0.00 3.19 3.30 0.00 5.78 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.25 5.02 2.02 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 1.07 0.00 0.00 15 A 9.08 5.19 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 16 L 9.04 5.03 0.00 1.54 1.55 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.88 4.70 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 0.63 0.00 0.00 0.66 0.00 0.00 18 A 8.48 5.36 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 19 H 9.29 4.77 0.00 3.29 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.21 4.45 0.00 2.72 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 21 H 8.30 4.42 0.00 3.33 3.38 0.00 5.85 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 22 C 8.45 4.77 0.00 3.24 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 23 K 8.06 4.13 0.00 1.97 1.91 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.71 7.81 24 Q 8.14 4.09 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 25 M 8.14 4.36 0.00 2.14 2.39 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 2.63 2.55 0.00 26 L 8.27 4.19 0.00 1.75 1.86 0.21 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 M 8.48 4.09 0.00 2.11 2.36 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 2.67 3.00 0.00 28 S 8.22 4.17 0.00 4.17 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 29 W 8.15 4.23 0.00 3.58 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 30 V 8.65 3.64 2.39 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 1.01 0.00 0.00 1.22 0.00 0.00 31 E 8.50 3.96 0.00 2.29 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 2.36 0.00 32 R 8.12 3.96 0.00 1.54 1.75 0.00 3.06 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 1.60 1.83 0.00 33 H 7.21 4.53 0.00 2.34 2.75 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.62 3.88 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 35 P 0.00 4.17 0.00 2.01 2.08 0.00 3.54 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 36 L 7.71 4.19 0.00 1.72 1.75 1.12 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.22 4.24 0.00 1.71 1.75 0.81 1.34 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 38 E 8.35 4.14 0.00 2.19 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 2.34 2.34 0.00 39 Q 7.73 4.33 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 40 H 7.82 4.96 0.00 3.11 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.60 4.19 2.19 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 0.67 0.00 0.00 0.87 0.00 0.00 42 L 8.32 5.25 0.00 1.72 1.57 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.13 5.23 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.64 5.23 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 45 T 8.43 4.01 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 1.12 0.00 0.00 46 G 9.01 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 47 T 7.73 3.90 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 1.23 0.00 0.00 48 T 8.03 3.98 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 1.25 0.00 0.00 49 G 8.56 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.09 4.41 0.00 2.89 2.88 0.00 0.00 7.08 6.14 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 51 L 8.10 4.06 0.00 1.86 1.74 0.95 0.46 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 52 I 7.93 3.73 2.03 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 1.62 0.84 0.94 0.00 0.00 53 S 8.22 4.32 0.00 4.11 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 0.00 54 R 8.06 3.91 0.00 1.95 1.89 0.00 3.25 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 55 A 7.67 4.62 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 56 T 8.26 4.36 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 57 G 8.20 3.91 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 0.00 0.00 0.00 58 M 7.66 4.19 0.00 2.04 2.01 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 2.63 2.47 0.00 59 N 8.43 4.62 0.00 2.64 2.68 0.00 0.00 6.71 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 60 V 8.08 4.39 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 0.87 0.00 0.00 0.92 0.00 0.00 61 N 9.00 4.64 0.00 2.23 2.66 0.00 0.00 6.50 7.72 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 62 A 8.25 4.73 1.22 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 63 M 8.84 4.60 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.83 0.00 64 L 8.98 4.21 0.00 1.71 1.58 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.66 4.35 0.00 3.90 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 66 G 9.12 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 67 P 0.00 4.06 0.00 1.99 2.00 0.00 3.56 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 68 M 7.85 4.32 0.00 1.99 2.07 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 2.54 2.45 0.00 69 G 8.24 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 0.00 0.00 0.00 70 G 8.79 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.01 4.29 0.00 2.75 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 72 Q 8.00 3.99 0.00 2.21 2.13 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 2.45 2.45 0.00 73 Q 8.00 3.94 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 74 V 7.90 3.57 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 0.89 0.00 0.00 0.93 0.00 0.00 75 G 8.29 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 0.00 0.00 0.00 76 A 8.32 3.94 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 L 7.79 3.77 0.00 1.71 1.45 0.69 0.61 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 78 I 7.65 3.52 1.97 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 1.50 0.80 0.92 0.00 0.00 79 S 7.66 2.79 0.00 3.91 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 80 E 7.35 4.02 0.00 1.96 1.82 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 2.13 2.16 0.00 81 G 7.13 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 4.14 0.00 1.59 1.59 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.20 7.81 83 I 7.21 4.38 1.71 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.63 0.91 0.00 0.00 84 D 9.05 4.83 0.00 2.47 2.67 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 85 V 7.60 4.69 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.93 0.00 0.00 86 L 8.89 5.07 0.00 1.81 1.53 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.93 4.60 1.67 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 1.13 0.87 0.10 0.00 0.00 88 F 9.39 5.31 0.00 3.00 2.96 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 0.00 0.00 0.00 89 F 9.44 5.64 0.00 2.97 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 90 W 8.00 4.57 0.00 3.09 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 91 D 9.11 4.41 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.38 0.00 1.89 1.13 0.00 3.47 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.43 0.00 93 L 8.24 4.75 0.00 1.52 1.60 0.84 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.83 4.94 0.00 2.82 2.67 0.00 0.00 7.03 7.35 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 95 A 8.54 4.36 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 96 V 8.09 4.45 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 0.80 0.00 0.00 0.90 0.00 0.00 97 P 0.00 4.30 0.00 2.22 2.23 0.00 3.81 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 2.01 0.00 98 H 8.05 4.84 0.00 3.57 3.55 0.00 5.48 0.00 0.00 0.00 0.00 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.77 4.27 0.00 2.85 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 0.00 100 P 0.00 4.23 0.00 2.30 2.29 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 101 D 8.08 4.35 0.00 3.01 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 0.00 102 V 7.68 3.79 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 0.70 0.00 0.00 1.15 0.00 0.00 103 K 8.35 3.82 0.00 1.88 1.76 0.00 1.27 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.34 1.31 7.81 104 A 8.36 4.00 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 0.00 105 L 8.17 3.90 0.00 1.88 1.99 0.89 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.94 4.11 0.00 1.66 1.65 0.29 0.92 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 0.00 107 R 8.02 3.89 0.00 2.01 2.08 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 108 L 8.08 4.05 0.00 2.06 1.84 1.01 1.12 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 0.00 109 A 8.20 4.10 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 0.00 110 T 7.61 3.90 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 1.19 0.00 0.00 111 V 7.53 3.36 1.99 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 -0.03 0.00 0.00 0.85 0.00 0.00 112 W 8.28 4.33 0.00 3.43 3.20 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 0.00 113 N 7.69 4.17 0.00 2.85 2.95 0.00 0.00 6.96 7.22 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 0.00 114 I 7.26 4.68 2.13 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.88 0.96 0.00 0.00 115 P 0.00 4.46 0.00 2.21 2.14 0.00 3.86 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 2.18 2.17 0.00 116 V 8.49 5.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.04 0.00 0.00 117 A 9.21 4.97 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 0.00 118 T 9.12 5.41 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 119 N 7.44 4.21 0.00 2.62 2.57 0.00 0.00 5.85 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.55 3.41 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 1.31 0.00 0.00 0.73 0.00 0.00 121 A 7.82 4.09 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 0.00 122 T 8.52 3.89 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 1.28 0.00 0.00 123 A 8.03 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.70 4.60 0.00 3.14 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 0.00 125 F 8.28 3.93 0.00 3.16 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 0.00 126 I 8.07 4.02 2.00 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 1.55 1.03 1.17 0.00 0.00 127 I 7.66 2.64 1.92 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.36 0.88 0.00 0.00 128 Q 7.70 4.16 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 129 S 7.62 4.28 0.00 4.15 3.96 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 0.00 0.00 0.00 130 P 0.00 4.21 0.00 2.11 2.29 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 131 H 8.05 5.24 0.00 3.30 3.37 0.00 5.92 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.29 4.18 0.00 3.16 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 0.00 133 N 7.81 5.09 0.00 2.64 2.88 0.00 0.00 6.87 7.94 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 0.00 134 D 7.63 5.10 0.00 2.66 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 0.00 135 A 8.40 4.50 1.21 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 0.00 0.00 136 V 8.70 4.41 2.09 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 0.79 0.00 0.00 1.02 0.00 0.00 137 D 8.78 5.31 0.00 2.54 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.72 4.61 1.92 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 1.34 0.93 0.94 0.00 0.00 139 L 8.47 5.00 0.00 1.57 1.66 0.93 0.81 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 0.00 140 I 8.77 4.90 2.22 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.38 1.15 0.00 0.00 141 P 0.00 4.43 0.00 1.76 1.78 0.00 3.53 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 0.74 1.07 0.00 142 D 9.07 4.69 0.00 2.76 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 0.00 143 Y 8.74 4.26 0.00 3.40 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 0.00 144 Q 8.54 4.06 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 145 R 7.98 4.16 0.00 1.77 1.97 0.00 3.24 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 146 Y 8.01 4.15 0.00 3.01 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 0.00 147 L 8.05 3.40 0.00 1.02 1.32 0.85 1.13 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 0.00 148 A 7.89 3.93 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 0.00 149 D 7.54 4.29 0.00 2.66 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 0.00 150 R 7.14 3.93 0.00 1.62 1.80 0.00 3.08 0.00 0.00 2.76 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.99 0.00 151 L 7.66 4.39 0.00 1.66 1.65 0.87 0.70 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 0.00 152 K 7.29 4.17 0.00 1.89 1.60 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.34 7.81