NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4513 8.3193 115.4125 58.3142 63.8504 173.1922 2 K 4.1213 8.5345 124.2626 56.6410 33.8757 175.5849 3 Q 4.1378 8.6727 121.8624 54.9670 30.4647 175.5498 4 P 4.2317 0.0000 0.0000 66.0781 31.4151 178.2679 5 D 4.3577 8.0117 116.7443 57.4454 40.8778 178.9058 6 K 4.0553 7.9911 118.4285 59.2982 31.8725 179.2682 7 Q 3.9593 8.0964 118.5364 59.1956 28.8008 178.9396 8 R 3.9182 8.1383 118.9032 59.0045 29.9677 179.2449 9 K 3.8977 8.0690 119.7299 59.6103 31.9852 179.1056 10 S 4.0978 8.1114 114.3385 61.3393 62.3882 176.6041 11 Q 4.0102 7.5486 121.0991 59.0065 28.7346 177.8242 12 R 4.0571 7.8375 117.0938 58.3193 30.2586 177.6548 13 R 4.4380 7.9432 114.4764 55.3862 30.7591 176.1815 14 A 4.0498 7.4224 120.9899 51.3689 18.8746 176.2332 15 P 4.4745 0.0000 0.0000 62.1338 32.4494 177.3840 16 L 3.9505 8.7785 119.7872 58.7588 41.3056 179.8511 17 H 4.2219 8.2926 113.9786 58.5306 28.2937 176.4096 18 E 4.1599 7.4324 118.7663 57.2253 29.7592 177.9114 19 R 4.3061 7.8788 118.4466 57.0313 30.5377 177.9194 20 H 4.2336 7.8309 117.8149 58.5371 28.5250 177.4164 21 K 4.1195 7.9986 118.6612 59.1327 32.5434 178.0665 22 Q 4.3335 7.7527 117.9096 56.5350 29.4124 176.0778 23 V 4.5254 7.8583 114.6951 60.9841 32.6131 175.2649 24 R 5.1053 8.1420 118.4608 54.8783 31.7301 176.1189 25 A 4.8678 8.7476 124.1990 49.8927 23.1311 175.1140 26 T 4.3733 8.0060 113.3392 62.1053 68.4802 173.9891 27 L 4.7712 8.5992 129.0526 53.9635 42.9743 176.8602 28 S 4.3902 8.5562 116.3645 58.1449 64.2354 175.2928 29 A 3.9719 8.7299 121.7393 55.4974 18.0504 179.5104 30 D 4.3267 8.1049 116.8516 57.6879 40.8557 179.0382 31 L 4.1113 7.7618 119.2962 57.6887 41.6061 179.7381 32 R 4.3597 8.2113 119.7717 58.6475 29.7815 178.6510 33 E 3.8830 8.3185 118.4419 59.4173 29.7724 178.3292 34 E 3.8529 8.1458 117.9085 58.2246 29.7002 177.1465 35 Y 4.8376 7.8728 113.5325 56.1258 39.5790 175.4202 36 G 4.0404 8.5076 107.8983 46.4177 0.0000 173.8467 37 Q 4.6051 7.6927 115.6438 53.9573 33.1947 176.2761 38 R 4.1244 8.5836 120.5790 58.0757 30.7433 175.0893 39 N 5.5160 7.6119 112.9047 52.1089 40.8391 173.4996 40 V 5.1926 8.4204 116.1044 61.5507 35.2098 172.8909 41 R 4.3034 8.3423 122.7724 55.7917 30.3880 176.2433 42 V 3.8629 8.3596 127.8504 63.3902 31.8665 175.1887 43 N 4.9306 9.4193 124.7492 51.1856 41.0562 175.3026 44 A 4.5126 7.9742 120.1862 53.0417 18.5103 178.2179 45 G 4.2428 7.3528 101.5412 46.4310 0.0000 174.5393 46 D 4.9308 8.1525 119.6369 55.1527 42.5145 175.7135 47 T 5.1150 8.9284 116.2877 61.9932 71.7448 173.7441 48 V 5.0830 9.0132 124.8703 61.1165 36.0788 173.4243 49 E 5.0614 9.0213 122.8099 54.2826 32.3774 175.2026 50 V 4.0183 8.9204 124.5868 63.0700 31.9429 176.1513 51 L 3.9195 8.8039 128.0210 55.5562 42.1953 177.8899 52 R 4.4512 8.0867 115.0002 57.4004 33.3132 177.1703 53 G 4.0553 7.7717 106.5131 45.4841 0.0000 173.3568 54 D 4.3961 8.8915 118.6084 56.4620 41.3228 176.9320 55 F 4.4540 8.3151 116.4232 56.6609 39.4547 175.2404 56 A 4.2813 7.3370 124.5539 54.1949 18.6175 176.4022 57 G 4.2594 9.5616 112.0429 46.1590 0.0000 174.6834 58 E 4.2362 8.2896 118.4908 56.0638 30.1099 175.4391 59 E 5.0372 8.3035 120.3314 54.4695 33.1255 174.3161 60 G 3.9964 8.1345 109.3548 46.0942 0.0000 171.3128 61 E 4.7446 7.9800 120.8075 55.0640 31.1224 175.5127 62 V 4.0924 8.5214 126.9663 63.2820 31.1750 176.3165 63 I 3.8970 8.6878 130.4807 63.9789 37.7095 176.0685 64 N 4.9018 7.8256 118.2708 52.3584 42.5401 173.6454 65 V 4.6576 8.1403 122.8638 61.3851 34.5537 173.7836 66 D 4.7439 9.1735 129.2527 52.7752 42.3098 177.2056 67 L 4.0746 8.5880 126.5774 57.4900 42.4187 178.9042 68 D 4.2925 8.3351 117.2278 57.1031 41.1712 177.0265 69 K 4.1102 8.5570 115.0498 55.6560 33.1169 176.1381 70 A 3.8025 7.2333 120.6818 52.7570 16.3889 176.5306 71 V 4.8566 7.9902 120.9492 61.0219 36.3262 174.5901 72 I 5.0770 8.7213 118.1590 59.4667 41.3133 173.6542 73 H 5.0722 9.0239 121.2895 54.3314 30.7877 173.8969 74 V 4.6781 8.0510 123.0046 60.4364 34.2336 174.5128 75 E 4.0508 8.6718 128.4997 58.0894 29.7648 177.1321 76 D 4.7208 8.8640 124.1498 54.5816 39.3404 175.0645 77 V 3.9182 7.3317 120.6885 61.6753 30.4503 174.4836 78 T 5.2185 8.1021 114.7945 59.2494 72.9356 173.0686 79 L 4.8944 9.2893 121.3332 52.8605 45.5975 175.7727 80 E 4.5891 8.8542 124.7211 55.0814 30.5167 176.3131 81 K 4.3443 8.6684 127.3462 56.1383 33.2286 178.4430 82 T 3.8750 8.5013 116.2904 67.0788 68.2076 176.0552 83 D 4.3742 7.9484 118.2224 54.6769 39.5112 176.9037 84 G 3.9416 7.8943 107.9455 44.8041 0.0000 172.7995 85 E 4.2837 8.7274 122.4882 55.2527 30.6834 175.4382 86 E 4.7098 8.8309 127.4686 56.5098 30.2220 176.7287 87 V 4.6912 8.9494 117.8277 58.2888 36.0086 173.3916 88 P 4.5266 0.0000 0.0000 63.3021 31.8340 176.0253 89 R 4.3063 8.2540 124.4906 53.7730 30.0873 173.5033 90 P 4.4444 0.0000 0.0000 63.1044 32.2119 175.6836 91 L 4.8552 8.5717 121.3863 52.9528 46.3701 174.9323 92 D 4.9794 8.5019 121.4495 53.2241 42.4040 177.4926 93 T 3.8969 8.7467 115.6820 64.6264 68.9234 176.1463 94 S 4.1418 8.4553 116.3082 60.7833 62.6539 173.9501 95 N 5.0326 8.3251 117.1231 52.9301 39.7346 174.7726 96 V 4.9725 8.0272 117.9829 61.1975 35.8878 174.0083 97 R 4.7650 8.5860 124.9879 54.4320 33.5448 174.2245 98 V 4.3423 8.9195 127.7100 62.8297 32.4041 175.9636 99 T 4.5896 8.4725 117.6004 60.8123 69.8417 173.3899 100 D 4.4259 7.5423 117.7302 54.0305 44.4562 174.4550 101 L 5.1104 8.7916 125.6355 53.0831 44.3717 175.7321 102 D 4.5345 9.1385 123.2563 53.0799 41.9967 176.0887 103 L 4.8084 8.1821 126.0788 54.5780 42.0566 178.7923 104 E 3.8839 7.9956 121.2565 58.7409 29.6186 176.8587 105 D 4.6514 7.5683 119.2360 53.0031 42.2819 176.5053 106 E 3.9981 8.9765 126.5919 59.6188 29.5785 179.4195 107 K 3.9165 8.1688 117.8605 59.3894 32.0474 178.9945 108 R 3.7610 7.6439 117.6373 59.5960 30.0446 178.0422 109 E 3.7828 7.9125 118.8022 59.1265 29.5357 178.4511 110 A 3.9688 7.9541 120.7188 55.5928 18.2692 179.9405 111 R 3.8765 7.7347 114.9478 59.1965 30.1942 178.8222 112 L 3.9651 8.0147 119.6920 57.6498 41.9983 178.3134 113 E 4.5042 7.9891 117.7694 57.2174 30.4909 177.4109 114 S 4.2032 7.7951 114.4958 58.4255 63.3159 175.2843 115 E 4.1298 8.8184 122.9749 59.2311 29.6826 177.9812 116 D 4.4733 8.0593 118.0654 55.9592 41.2115 175.3604 117 D 4.9638 7.5686 115.8924 52.0977 44.3255 174.3874 118 S 5.5818 8.6660 115.9368 55.7126 66.0165 173.9859 119 A 4.1980 8.2840 122.4292 52.4851 19.1300 176.0625 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 8.32 4.45 0.00 3.99 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 2 K 8.53 4.12 0.00 1.96 1.96 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.52 7.81 3 Q 8.67 4.14 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 4 P 0.00 4.23 0.00 2.15 2.13 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 5 D 8.01 4.36 0.00 2.76 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 6 K 7.99 4.06 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.53 7.81 7 Q 8.10 3.96 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 8 R 8.14 3.92 0.00 1.86 1.98 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 9 K 8.07 3.90 0.00 1.92 1.97 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 10 S 8.11 4.10 0.00 4.09 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 11 Q 7.55 4.01 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.05 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 12 R 7.84 4.06 0.00 1.83 1.98 0.00 3.12 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 13 R 7.94 4.44 0.00 1.86 1.92 0.00 3.17 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 14 A 7.42 4.05 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 15 P 0.00 4.47 0.00 2.21 2.03 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 16 L 8.78 3.95 0.00 1.69 1.73 0.91 0.91 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 17 H 8.29 4.22 0.00 3.42 3.57 0.00 5.45 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.43 4.16 0.00 1.94 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 2.19 1.89 0.00 19 R 7.88 4.31 0.00 1.95 2.00 0.00 3.09 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.95 0.00 20 H 7.83 4.23 0.00 3.13 3.31 0.00 5.62 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 21 K 8.00 4.12 0.00 1.90 1.95 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.26 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.52 7.81 22 Q 7.75 4.33 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.46 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 23 V 7.86 4.53 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.02 0.00 0.00 24 R 8.14 5.11 0.00 1.69 1.84 0.00 3.15 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 25 A 8.75 4.87 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 26 T 8.01 4.37 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 27 L 8.60 4.77 0.00 1.70 1.62 1.04 0.83 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 28 S 8.56 4.39 0.00 3.96 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 29 A 8.73 3.97 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 30 D 8.10 4.33 0.00 2.71 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 31 L 7.76 4.11 0.00 1.89 1.88 0.98 1.07 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 32 R 8.21 4.36 0.00 2.04 2.00 0.00 3.15 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 33 E 8.32 3.88 0.00 1.96 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 2.29 2.31 0.00 34 E 8.15 3.85 0.00 1.84 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.91 0.00 35 Y 7.87 4.84 0.00 2.95 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 36 G 8.51 4.04 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 0.00 0.00 0.00 37 Q 7.69 4.61 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 38 R 8.58 4.12 0.00 1.85 1.92 0.00 3.14 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 39 N 7.61 5.52 0.00 2.78 2.76 0.00 0.00 5.83 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 40 V 8.42 5.19 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 0.39 0.00 0.00 0.86 0.00 0.00 41 R 8.34 4.30 0.00 1.83 1.86 0.00 3.23 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 42 V 8.36 3.86 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 0.78 0.00 0.00 0.97 0.00 0.00 43 N 9.42 4.93 0.00 3.00 2.67 0.00 0.00 6.55 7.25 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 44 A 7.97 4.51 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 45 G 7.35 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 0.00 0.00 0.00 0.00 46 D 8.15 4.93 0.00 2.60 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 47 T 8.93 5.11 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 48 V 9.01 5.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.93 0.00 0.00 49 E 9.02 5.06 0.00 2.04 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 2.30 2.22 0.00 50 V 8.92 4.02 2.34 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 1.03 0.00 0.00 0.97 0.00 0.00 51 L 8.80 3.92 0.00 1.59 1.71 0.93 0.76 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 R 8.09 4.45 0.00 1.85 1.93 0.00 3.39 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 53 G 7.77 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.89 4.40 0.00 2.61 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 4.45 0.00 3.12 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 56 A 7.34 4.28 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.56 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 0.00 0.00 0.00 0.00 58 E 8.29 4.24 0.00 2.34 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 2.38 2.33 0.00 59 E 8.30 5.04 0.00 1.88 1.77 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 2.19 2.39 0.00 60 G 8.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.98 4.74 0.00 2.07 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 2.34 2.30 0.00 62 V 8.52 4.09 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 0.92 0.00 0.00 0.92 0.00 0.00 63 I 8.69 3.90 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.92 0.91 0.00 0.00 64 N 7.83 4.90 0.00 2.71 2.38 0.00 0.00 6.61 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 65 V 8.14 4.66 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 0.83 0.00 0.00 0.92 0.00 0.00 66 D 9.17 4.74 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.59 4.07 0.00 1.71 1.63 0.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.34 4.29 0.00 2.62 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 69 K 8.56 4.11 0.00 1.76 1.83 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.37 7.81 70 A 7.23 3.80 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 71 V 7.99 4.86 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 0.95 0.00 0.00 0.96 0.00 0.00 72 I 8.72 5.08 1.95 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 1.40 0.59 0.90 0.00 0.00 73 H 9.02 5.07 0.00 3.16 3.22 0.00 5.77 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.05 4.68 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 0.95 0.00 0.00 0.90 0.00 0.00 75 E 8.67 4.05 0.00 2.12 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 2.33 2.30 0.00 76 D 8.86 4.72 0.00 2.93 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 77 V 7.33 3.92 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 -0.20 0.00 0.00 0.81 0.00 0.00 78 T 8.10 5.22 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 1.20 0.00 0.00 79 L 9.29 4.89 0.00 1.54 1.59 0.95 0.08 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 80 E 8.85 4.59 0.00 2.00 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 0.00 2.27 2.35 0.00 81 K 8.67 4.34 0.00 2.10 1.75 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.54 7.81 82 T 8.50 3.87 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 83 D 7.95 4.37 0.00 2.76 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 84 G 7.89 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 85 E 8.73 4.28 0.00 2.07 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 2.29 2.29 0.00 86 E 8.83 4.71 0.00 1.91 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 0.00 2.34 2.36 0.00 87 V 8.95 4.69 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 0.92 0.00 0.00 0.97 0.00 0.00 88 P 0.00 4.53 0.00 1.61 1.94 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 89 R 8.25 4.31 0.00 1.75 1.71 0.00 3.31 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.30 0.00 90 P 0.00 4.44 0.00 1.94 1.99 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 91 L 8.57 4.86 0.00 1.52 1.46 0.82 0.81 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 92 D 8.50 4.98 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.75 3.90 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 1.25 0.00 0.00 94 S 8.46 4.14 0.00 3.84 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 95 N 8.33 5.03 0.00 2.70 2.80 0.00 0.00 6.23 7.27 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 96 V 8.03 4.97 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 0.96 0.00 0.00 0.93 0.00 0.00 97 R 8.59 4.77 0.00 1.91 1.72 0.00 3.30 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 98 V 8.92 4.34 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 0.95 0.00 0.00 0.93 0.00 0.00 99 T 8.47 4.59 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 1.31 0.00 0.00 100 D 7.54 4.43 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.79 5.11 0.00 1.53 1.48 0.80 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 102 D 9.14 4.53 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.18 4.81 0.00 1.74 1.62 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.00 3.88 0.00 1.99 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 2.34 0.00 105 D 7.57 4.65 0.00 2.86 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 0.00 106 E 8.98 4.00 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 107 K 8.17 3.92 0.00 2.02 1.84 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.49 7.81 108 R 7.64 3.76 0.00 2.04 1.87 0.00 3.05 0.00 0.00 3.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 109 E 7.91 3.78 0.00 2.01 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 2.34 2.37 0.00 110 A 7.95 3.97 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 0.00 111 R 7.73 3.88 0.00 1.90 1.98 0.00 3.25 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 112 L 8.01 3.97 0.00 1.73 1.48 0.32 0.68 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 0.00 113 E 7.99 4.50 0.00 2.06 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 0.00 2.65 2.65 0.00 114 S 7.80 4.20 0.00 4.02 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 0.00 115 E 8.82 4.13 0.00 2.11 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 0.00 2.29 2.34 0.00 116 D 8.06 4.47 0.00 2.70 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 0.00 117 D 7.57 4.96 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.67 5.58 0.00 3.97 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 0.00 119 A 8.28 4.20 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00