NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4428 8.3349 115.4133 58.0997 64.1312 173.4900 2 K 4.0523 7.6863 119.8431 56.5233 33.2008 175.8325 3 T 4.2931 8.4120 114.8588 62.9553 70.3507 174.5001 4 N 4.5270 7.9477 120.4003 52.5863 39.8726 173.7464 5 P 4.3283 0.0000 0.0000 65.3828 31.4114 179.0291 6 R 3.8996 8.3973 117.3884 59.1531 30.0835 178.6898 7 L 3.9251 8.0311 119.6637 58.1326 41.9866 178.8033 8 S 4.1234 8.0095 112.8812 61.4000 62.2287 176.3759 9 S 4.1329 8.0404 118.0401 61.1534 62.5706 176.1928 10 L 3.8739 8.1373 123.3578 58.3594 41.9674 178.9734 11 I 3.6829 7.7712 119.3160 64.5949 37.0797 178.3367 12 A 4.0433 7.8497 121.1231 55.1878 18.2969 179.4771 13 D 4.3094 8.3422 117.8351 57.3317 40.9331 178.9178 14 L 3.9281 8.3720 120.0676 57.5491 41.6038 179.7802 15 K 3.9856 7.9965 118.1378 59.6445 32.0675 179.1862 16 S 4.1065 8.1141 113.1527 61.5823 62.2839 176.1928 17 A 4.0483 8.0370 122.7581 54.9737 17.9725 179.4909 18 A 4.3943 7.8030 119.6018 54.3683 18.4532 179.8235 19 R 4.1329 7.8669 116.1478 59.3720 30.5743 178.8066 20 S 4.2652 8.0000 113.6099 61.9183 63.2658 175.9334 21 S 4.5589 7.8807 115.6531 57.6469 64.1274 174.3950 22 G 3.7759 8.6072 108.5647 46.5974 0.0000 174.4137 23 G 3.7951 8.0681 108.9933 45.6645 0.0000 173.7589 24 A 4.5235 8.1873 123.7649 52.1228 21.7004 178.9672 25 V 3.4496 7.4492 109.3503 64.2415 31.4925 178.3182 26 W 4.8672 7.5674 118.3359 60.1434 28.9986 178.7251 27 G 3.6317 8.1972 104.9742 47.5825 0.0000 175.2079 28 D 4.3156 7.8443 120.4814 57.3165 41.3030 178.5449 29 V 3.6527 8.6189 118.9338 65.7558 31.4997 177.9147 30 A 4.0259 8.3151 121.0485 55.1915 18.0643 179.4953 31 E 4.1033 8.1963 117.0855 59.5316 29.2793 179.5809 32 R 3.9227 7.6558 117.9228 59.2260 30.2038 178.2634 33 L 3.8883 7.7145 118.1560 57.4404 41.6584 178.9052 34 E 4.1635 8.0104 118.0049 58.0680 29.5820 177.7274 35 K 4.2785 6.9465 117.3928 54.9892 32.9794 174.8901 36 P 4.2911 0.0000 0.0000 63.0328 32.0856 177.7881 37 R 3.4530 8.7290 120.8244 59.3242 30.1255 179.2449 38 R 3.9912 7.9131 112.9216 58.6800 29.4795 177.4316 39 T 4.2418 7.7907 107.7746 62.8350 69.5436 175.0881 40 H 4.3065 7.7183 119.1706 55.5857 29.4212 174.9181 41 A 4.1727 8.1979 124.3876 52.4358 19.5425 176.8674 42 E 4.7961 8.6635 119.9355 54.5106 31.2386 173.8932 43 V 4.3785 8.6865 123.9892 61.0669 33.7898 174.7505 44 N 5.3281 8.4697 124.2875 51.3919 40.5291 176.1779 45 L 4.1290 8.5821 120.0895 57.8915 41.3206 180.1859 46 G 3.5951 8.1061 105.4542 47.7229 0.0000 175.5202 47 R 3.9169 7.7857 120.5149 59.0983 30.1137 178.6415 48 I 3.7762 7.6825 119.3231 64.3258 36.9824 177.7674 49 E 3.9205 8.1597 119.3145 59.2918 29.4864 178.5753 50 R 3.8494 7.4313 117.8609 58.3049 30.1634 176.4249 51 Y 4.7726 7.3428 112.5496 57.4689 39.0770 175.4251 52 A 4.6528 7.8338 123.4977 51.0995 19.9379 176.8786 53 Q 4.6069 8.1009 116.1803 53.9835 31.7517 174.6311 54 E 3.9175 8.7301 119.7967 58.2245 29.9907 176.5154 55 D 4.4195 8.8850 119.5471 54.9444 38.3556 173.2376 56 E 4.6959 7.8061 118.7026 54.4718 32.1669 175.4539 57 T 4.2508 8.5423 125.1310 63.6656 69.7800 174.0859 58 V 4.2755 8.8603 127.8066 62.6072 33.0253 174.7313 59 V 4.7873 9.2189 128.4898 61.2681 33.8887 174.2546 60 V 4.7454 9.1656 129.6121 59.1111 32.9627 174.5887 61 P 4.6728 0.0000 0.0000 60.5282 30.2396 174.8757 62 G 4.2665 7.0039 116.5631 47.6128 0.0000 174.8740 63 K 5.0400 9.1884 127.2054 54.1955 35.7019 174.0102 64 V 4.6678 8.1076 126.5382 61.7211 33.1738 174.9066 65 L 4.8642 9.7350 128.4228 52.8309 44.6175 176.7383 66 G 4.1642 8.4959 106.8653 46.8486 0.0000 173.9499 67 S 4.4527 8.2030 117.5314 58.9956 64.4074 175.2950 68 G 4.2116 8.9828 109.8266 44.8420 0.0000 172.2554 69 V 4.3631 7.9188 117.0341 60.6132 33.7982 174.2820 70 L 4.8667 8.4863 127.9485 53.4303 43.9450 175.5862 71 Q 4.5451 9.3395 124.3449 56.3969 31.1852 176.7442 72 K 4.0872 8.1432 116.5597 56.6537 32.9397 177.0999 73 D 5.4839 8.5070 123.6064 52.6769 39.5537 174.9527 74 V 4.5359 7.6426 114.9716 59.5170 36.0332 175.2095 75 T 4.8532 8.3633 119.3699 62.4121 70.2698 173.6931 76 V 4.8339 8.8490 127.4476 61.1041 34.0236 174.1471 77 A 5.9400 9.8191 129.5083 49.5653 21.3182 174.9752 78 A 5.0683 8.3842 122.6397 49.2381 22.9115 176.8123 79 V 3.5600 8.3811 119.0611 66.2360 32.1661 175.5364 80 D 4.6496 7.1835 116.6810 53.5676 44.3927 174.3602 81 F 5.4644 8.8403 120.2701 55.4294 43.0341 175.1068 82 S 4.3798 8.8710 116.5149 57.9263 64.1033 175.3668 83 G 3.7889 8.9808 107.7329 48.6828 0.0000 176.0956 84 T 3.9302 7.9049 117.3169 66.0340 68.5054 176.5502 85 A 4.0192 7.9932 122.6975 55.3880 18.4641 179.4036 86 E 3.6911 8.3497 117.5681 59.4187 29.3441 179.2779 87 T 3.8886 7.3201 115.3728 66.4265 68.7737 176.7204 88 K 4.4078 8.1353 121.8661 59.0480 32.0853 179.5456 89 I 3.7410 7.9704 120.2148 64.4796 36.8461 178.0688 90 D 4.8484 7.6015 118.8374 56.0467 40.5210 178.3099 91 Q 4.1695 7.8751 119.1940 57.8386 28.8020 177.6776 92 V 4.5518 7.7736 110.5363 61.1601 35.0894 174.4834 93 G 4.1392 8.3565 111.1325 44.4761 0.0000 174.4354 94 E 4.8561 9.6462 127.2960 54.6614 33.2012 172.7836 95 A 4.7082 8.9317 129.8732 50.8800 19.9701 176.5819 96 V 4.5983 9.0859 122.5888 60.9205 35.6804 175.1954 97 S 5.1160 8.6285 120.1309 57.5852 64.3615 175.2185 98 L 3.9658 8.1629 122.0909 57.9770 41.1722 179.9084 99 E 3.8492 8.0458 118.3120 59.3371 29.3345 179.1413 100 Q 4.0527 7.8662 117.7008 58.5260 28.8541 178.1919 101 A 4.0235 7.9834 121.8287 55.4633 18.4909 179.7279 102 I 2.9586 7.3119 118.1191 64.1651 36.7773 178.3934 103 E 3.9991 7.3392 117.9140 59.2901 29.6618 178.2237 104 N 4.6557 8.3369 115.0076 54.7124 40.3230 175.5040 105 N 5.1644 8.2526 118.9485 51.7434 39.8346 172.9351 106 P 4.6531 0.0000 0.0000 64.7809 32.0102 178.2575 107 E 4.1792 8.5138 117.5864 56.4872 30.3305 176.0422 108 G 3.6017 8.1262 107.7540 46.3370 0.0000 173.2093 109 S 4.5641 8.2913 111.0409 57.5588 66.4125 174.0436 110 H 4.0045 8.4292 116.5977 57.3780 25.8432 174.4227 111 V 4.9304 7.2633 116.1359 59.8124 35.1728 176.5856 112 R 4.4978 8.9929 122.8396 54.4811 32.8036 174.3507 113 V 4.3446 8.4467 127.1478 62.6974 32.0260 175.0516 114 I 4.7422 8.9012 128.8310 59.3468 40.6077 176.0821 115 R 4.1875 8.4792 122.2246 56.3399 29.5317 174.9570 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 S 8.33 4.44 0.00 3.99 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 2 K 7.69 4.05 0.00 1.86 1.79 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.45 1.45 7.81 3 T 8.41 4.29 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 1.21 0.00 0.00 4 N 7.95 4.53 0.00 2.80 2.69 0.00 0.00 7.25 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 5 P 0.00 4.33 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.40 3.90 0.00 1.93 1.96 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 7 L 8.03 3.93 0.00 1.76 1.82 0.93 0.88 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 8 S 8.01 4.12 0.00 4.10 4.01 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 9 S 8.04 4.13 0.00 4.05 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 10 L 8.14 3.87 0.00 1.71 1.84 0.89 1.36 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 11 I 7.77 3.68 2.02 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 1.16 0.92 0.00 0.00 12 A 7.85 4.04 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 13 D 8.34 4.31 0.00 2.77 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 14 L 8.37 3.93 0.00 1.86 1.96 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.00 3.99 0.00 2.03 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 16 S 8.11 4.11 0.00 3.90 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 17 A 8.04 4.05 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 18 A 7.80 4.39 1.54 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 19 R 7.87 4.13 0.00 1.84 2.01 0.00 3.19 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 20 S 8.00 4.27 0.00 3.92 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 21 S 7.88 4.56 0.00 4.31 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 22 G 8.61 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 23 G 8.07 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 24 A 8.19 4.52 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 25 V 7.45 3.45 1.59 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 0.57 0.00 0.00 -0.31 0.00 0.00 26 W 7.57 4.87 0.00 3.34 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 27 G 8.20 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 28 D 7.84 4.32 0.00 2.97 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 29 V 8.62 3.65 2.44 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 1.04 0.00 0.00 1.13 0.00 0.00 30 A 8.32 4.03 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 31 E 8.20 4.10 0.00 2.22 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 2.34 2.43 0.00 32 R 7.66 3.92 0.00 1.73 2.07 0.00 3.46 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 33 L 7.71 3.89 0.00 1.80 1.69 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.01 4.16 0.00 2.15 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 2.36 2.53 0.00 35 K 6.95 4.28 0.00 1.99 1.78 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.62 7.81 36 P 0.00 4.29 0.00 2.16 1.98 0.00 3.63 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 2.13 0.00 37 R 8.73 3.45 0.00 1.79 1.91 0.00 3.10 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 38 R 7.91 3.99 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.79 4.24 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 1.22 0.00 0.00 40 H 7.72 4.31 0.00 3.27 3.26 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.20 4.17 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 42 E 8.66 4.80 0.00 1.80 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 2.20 2.44 0.00 43 V 8.69 4.38 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 1.00 0.00 0.00 0.97 0.00 0.00 44 N 8.47 5.33 0.00 2.70 2.94 0.00 0.00 7.63 6.74 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 45 L 8.58 4.13 0.00 1.87 1.74 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.11 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.79 3.92 0.00 1.94 1.98 0.00 3.19 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 48 I 7.68 3.78 2.03 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 1.58 0.43 0.96 0.00 0.00 49 E 8.16 3.92 0.00 1.97 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 0.00 2.39 2.30 0.00 50 R 7.43 3.85 0.00 1.61 1.21 0.00 2.45 0.00 0.00 2.97 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.33 0.00 51 Y 7.34 4.77 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 52 A 7.83 4.65 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 53 Q 8.10 4.61 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.97 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 54 E 8.73 3.92 0.00 1.99 1.95 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 2.52 2.36 0.00 55 D 8.88 4.42 0.00 2.83 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 56 E 7.81 4.70 0.00 1.98 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 2.23 2.28 0.00 57 T 8.54 4.25 4.32 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 1.36 0.00 0.00 58 V 8.86 4.28 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 0.95 0.00 0.00 0.99 0.00 0.00 59 V 9.22 4.79 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 1.11 0.00 0.00 1.08 0.00 0.00 60 V 9.17 4.75 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 1.03 0.00 0.00 0.93 0.00 0.00 61 P 0.00 4.67 0.00 2.13 2.22 0.00 3.96 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 2.05 1.96 0.00 62 G 7.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.19 5.04 0.00 1.73 1.57 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.34 7.81 64 V 8.11 4.67 2.07 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 1.06 0.00 0.00 0.78 0.00 0.00 65 L 9.73 4.86 0.00 1.83 1.54 0.93 0.73 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 66 G 8.50 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.20 4.45 0.00 3.90 3.79 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 68 G 8.98 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 0.00 0.00 0.00 0.00 69 V 7.92 4.36 2.07 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.49 4.87 0.00 1.60 1.52 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.34 4.55 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 72 K 8.14 4.09 0.00 1.75 1.75 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.76 7.81 73 D 8.51 5.48 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.64 4.54 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 0.80 0.00 0.00 1.01 0.00 0.00 75 T 8.36 4.85 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 1.27 0.00 0.00 76 V 8.85 4.83 2.32 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 1.11 0.00 0.00 1.02 0.00 0.00 77 A 9.82 5.94 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 78 A 8.38 5.07 0.56 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 79 V 8.38 3.56 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 0.71 0.00 0.00 0.89 0.00 0.00 80 D 7.18 4.65 0.00 2.77 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 81 F 8.84 5.46 0.00 2.85 2.93 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 0.00 0.00 0.00 82 S 8.87 4.38 0.00 3.96 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 83 G 8.98 3.79 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 0.00 0.00 0.00 84 T 7.90 3.93 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 85 A 7.99 4.02 1.58 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 86 E 8.35 3.69 0.00 2.00 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 2.15 1.95 0.00 87 T 7.32 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 1.20 0.00 0.00 88 K 8.14 4.41 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 89 I 7.97 3.74 1.82 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 0.90 0.00 0.00 90 D 7.60 4.85 0.00 2.66 2.68 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 0.00 0.00 0.00 0.00 91 Q 7.88 4.17 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 92 V 7.77 4.55 2.22 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 0.85 0.00 0.00 1.01 0.00 0.00 93 G 8.36 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 94 E 9.65 4.86 0.00 2.02 1.75 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 2.17 2.23 0.00 95 A 8.93 4.71 0.54 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 96 V 9.09 4.60 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 1.09 0.00 0.00 0.94 0.00 0.00 97 S 8.63 5.12 0.00 4.20 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 98 L 8.16 3.97 0.00 1.70 1.65 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.05 3.85 0.00 2.01 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 2.36 2.39 0.00 100 Q 7.87 4.05 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.98 4.02 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 0.00 102 I 7.31 2.96 1.52 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.40 0.61 0.00 0.00 103 E 7.34 4.00 0.00 1.95 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 2.30 2.32 0.00 104 N 8.34 4.66 0.00 2.76 2.89 0.00 0.00 6.79 8.08 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 0.00 105 N 8.25 5.16 0.00 2.88 3.01 0.00 0.00 6.77 7.31 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 0.00 106 P 0.00 4.65 0.00 2.30 2.30 0.00 3.50 0.00 0.00 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 107 E 8.51 4.18 0.00 2.16 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 2.42 2.41 0.00 108 G 8.13 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.29 4.56 0.00 3.98 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 0.00 110 H 8.43 4.00 0.00 3.34 3.36 0.00 5.56 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 0.00 111 V 7.26 4.93 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 0.44 0.00 0.00 0.77 0.00 0.00 112 R 8.99 4.50 0.00 2.00 1.80 0.00 3.13 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.45 4.34 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 0.81 0.00 0.00 0.87 0.00 0.00 114 I 8.90 4.74 1.91 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 1.49 1.37 1.00 0.00 0.00 115 R 8.48 4.19 0.00 1.85 1.82 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00