NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3853 8.3349 115.4107 57.9945 64.3457 176.2967 2 K 4.2957 8.6337 121.4173 54.1612 32.6918 173.0430 3 T 5.5752 9.3494 115.5313 60.1059 73.2992 172.9411 4 I 4.6529 8.8865 121.8989 59.9135 41.0673 175.4198 5 V 4.5561 8.4538 126.7226 60.5896 33.7160 175.3926 6 L 4.7753 8.4275 120.3880 53.3465 46.1199 175.3542 7 S 5.0629 8.7256 119.2340 56.1838 64.4240 175.1474 8 V 4.3490 8.5008 126.6322 61.7751 32.5420 175.6971 9 G 3.8351 8.6974 112.7456 45.5253 0.0000 173.6713 10 E 4.2469 9.1272 116.8607 57.8563 31.5857 177.1184 11 A 4.0764 7.7744 121.2469 52.6667 18.9431 176.3788 12 T 5.5457 8.0441 110.6394 59.7088 71.4118 173.1800 13 R 4.6169 8.6133 125.8584 54.9030 32.4015 175.5054 14 T 5.0533 8.5012 119.5027 61.8000 71.0706 173.4727 15 L 5.0550 9.0499 125.9651 53.4155 44.6903 175.5229 16 T 4.9070 8.6628 119.2084 61.3629 71.9628 173.0516 17 E 3.0439 8.6649 127.9338 56.1609 29.3022 175.9930 18 I 4.2135 8.1884 121.1203 61.8189 39.6507 175.5726 19 Q 4.5320 7.5440 121.4384 54.4963 33.2941 174.5595 20 S 4.1919 8.3754 117.6077 58.0714 63.4500 173.9650 21 T 4.4033 7.9224 133.1740 63.5249 67.4334 174.4678 22 A 4.2582 7.8850 127.4169 55.1112 19.8295 178.2797 23 D 4.4465 7.9495 113.4494 55.5296 40.3502 177.4535 24 R 4.8138 7.7558 118.3105 55.1734 32.6276 175.1799 25 Q 5.3168 7.6155 122.2267 56.4011 32.2157 172.2369 26 I 5.2796 8.0049 127.1188 59.6444 41.0788 174.6420 27 F 5.7294 8.6263 123.1230 55.0849 43.1399 173.6068 28 E 5.5626 8.3912 117.2187 56.6952 32.7291 174.4775 29 E 4.7607 8.9515 127.4235 54.0271 27.9638 175.2887 30 K 4.0308 8.5872 123.7583 59.3750 32.8029 178.2375 31 V 3.4294 7.6207 117.5419 63.8941 31.8849 176.3334 32 G 3.7669 8.5886 111.4883 43.6991 0.0000 170.2352 33 P 4.3889 0.0000 0.0000 62.7924 31.6413 175.8212 34 L 4.2180 8.3470 119.4400 58.0724 42.3813 178.2616 35 V 3.6794 7.7989 116.7180 65.5724 31.6266 176.3685 36 G 3.8841 7.9373 111.5833 45.0274 0.0000 172.8917 37 R 4.6833 7.6627 121.7436 54.5687 33.7422 173.9749 38 L 4.6089 8.5042 120.6374 54.6318 43.0400 176.0149 39 R 5.1069 8.4979 123.2126 54.4601 33.0483 175.2977 40 L 5.0884 8.6267 124.0590 53.8944 45.2287 175.0658 41 T 4.9677 9.1453 124.6212 61.9047 70.4188 173.7007 42 A 5.3200 8.7710 128.9660 50.1211 21.3634 175.0951 43 S 5.3664 8.2871 116.6065 55.7930 66.7370 173.1406 44 L 4.4519 7.8346 115.9045 55.0034 44.4968 173.2577 45 R 4.9203 8.5005 126.1764 55.3988 34.8559 174.7601 46 Q 5.3422 8.7539 115.9936 56.3522 29.1460 173.9112 47 N 4.4678 8.6525 126.3346 53.1805 38.7596 175.3999 48 G 3.7295 8.2930 104.9940 46.7640 0.0000 173.2038 49 A 4.1787 8.1568 117.3574 51.4716 17.2833 177.8993 50 K 3.5966 7.8312 117.0010 56.7709 32.1841 175.9283 51 T 4.0392 7.4367 112.5750 64.4803 68.2295 173.5436 52 A 4.7085 7.6137 120.3382 50.5593 23.6542 174.0054 53 Y 5.3033 9.1250 116.7535 56.4049 41.1724 175.2263 54 R 5.1069 8.7076 123.2362 54.5005 32.7096 175.5241 55 V 4.7635 8.8179 123.7882 61.4205 34.8244 173.8813 56 N 5.9215 8.3064 122.2915 51.8923 42.7906 172.8370 57 L 5.2722 8.6904 124.6306 52.8542 45.7937 174.9900 58 K 4.8560 9.3288 125.6410 54.3938 35.2388 174.1804 59 L 5.1475 8.5533 128.7141 53.4261 44.7188 174.5645 60 D 5.1814 9.1492 126.4938 52.8741 43.4214 175.1364 61 Q 4.7398 8.9419 126.9235 54.3824 30.0075 173.8216 62 A 4.8652 8.4652 128.6831 51.1474 20.1685 175.7234 63 D 4.7332 8.9814 123.5444 53.1345 42.3017 175.4913 64 V 4.8591 8.2960 125.4495 59.9212 34.5385 175.2879 65 V 4.5056 8.6239 122.1965 61.2722 35.0824 173.2942 66 D 5.0601 8.8068 127.3742 51.6082 41.1487 175.7160 67 C 4.6762 8.4397 121.7288 59.4833 28.6460 175.8950 68 S 4.6507 8.0719 116.2225 61.0176 62.8402 175.3146 69 T 4.1677 7.8231 117.2799 66.0658 68.9242 176.2069 70 S 4.2395 8.1407 116.0631 60.7085 63.5188 175.0074 71 V 4.1122 7.9421 125.0119 60.3320 30.5558 172.9873 72 C 4.0401 8.2789 125.1855 60.5875 31.7806 173.4530 73 G 4.2231 9.2370 115.9569 45.4007 0.0000 172.3969 74 E 4.7243 7.7099 117.1330 53.8946 32.7542 174.3291 75 L 4.9476 8.0256 121.4897 51.7273 45.5129 174.4702 76 P 4.6274 0.0000 0.0000 63.5952 32.0464 176.1739 77 K 4.6424 8.6573 120.1923 54.9153 37.1545 175.4444 78 V 4.2190 8.2108 123.1993 61.7526 31.7533 175.6877 79 R 3.8857 8.4978 129.1435 58.4208 30.4705 176.8260 80 Y 4.9943 6.6003 112.6786 56.4929 42.1667 172.6459 81 T 5.2828 8.5531 114.8525 62.1949 72.1507 173.8034 82 Q 4.7753 9.0385 125.0028 54.3603 32.0204 175.0577 83 V 5.3737 7.8998 113.8298 59.0343 35.9951 175.4380 84 W 4.6371 8.5770 129.2848 57.4255 32.0372 173.1432 85 S 5.9039 8.5943 121.0894 56.5731 65.2968 173.1904 86 H 4.9764 8.7870 117.0363 54.2810 32.5826 172.0190 87 D 5.3750 8.9346 122.3709 52.4718 42.1674 174.2514 88 V 4.3200 8.3547 125.2732 61.7209 33.6702 174.4211 89 T 5.1056 8.4930 122.7678 61.8606 71.4577 173.2160 90 I 4.6324 8.9331 127.3701 59.1937 40.8152 175.2168 91 V 4.0051 8.4669 126.5719 62.5530 32.1469 176.3596 92 A 4.0686 8.2549 131.6978 55.1335 18.2091 178.1187 93 N 4.7570 7.9874 109.2993 52.1435 38.1638 174.9215 94 S 4.1731 7.4357 113.9959 58.7618 63.9437 174.7854 95 T 4.3566 8.2732 117.7537 62.6856 70.6022 175.9078 96 E 3.9565 8.8431 123.8600 59.6017 29.5140 178.9363 97 A 4.0017 8.0466 120.7865 54.8893 18.5566 178.9677 98 S 4.0152 8.1111 111.1855 62.0394 62.5730 176.6126 99 R 3.9552 7.8749 121.5801 59.2634 30.2118 178.0662 100 K 3.8076 8.6693 118.7789 58.3645 31.7487 179.0442 101 S 4.0187 8.1871 113.5162 61.3334 63.7186 176.3776 102 L 3.9022 8.0309 125.2665 58.5499 41.7471 177.7079 103 Y 4.1474 8.8094 119.2616 60.3603 38.5085 178.1791 104 D 4.1392 7.9032 118.3764 57.6225 41.4241 178.9918 105 L 3.9530 8.4136 120.2723 57.4363 41.5190 179.2021 106 T 3.8130 7.9873 115.0011 67.4549 68.1349 175.6266 107 K 3.4461 8.0750 120.5761 60.5344 31.7020 178.4788 108 S 4.0610 8.0436 115.2967 61.1369 63.1851 175.6990 109 L 4.0274 8.2328 123.6493 58.1699 42.0001 178.9449 110 V 3.7984 7.9925 117.4982 65.9648 31.3507 177.5315 111 A 4.1985 7.2521 115.3545 52.6736 18.6773 177.5007 112 T 4.0450 7.7198 116.9547 63.1771 69.5371 175.5481 113 S 4.1299 8.9824 121.8621 61.9196 62.7457 176.6004 114 Q 3.9708 8.1821 121.4596 58.8947 28.3645 179.0338 115 V 3.5815 7.9044 118.3430 65.9223 31.5404 177.0759 116 E 3.8694 8.3927 118.3901 59.7355 29.5515 178.6158 117 D 4.3945 8.7197 118.7478 57.6840 41.0435 178.6186 118 L 4.0511 8.1861 120.5351 58.6215 41.7593 179.1981 119 V 3.4634 7.8711 116.9645 66.1670 31.6171 177.9909 120 V 3.7763 7.9743 116.7492 65.1470 31.5467 176.7185 121 N 4.8025 8.4398 113.0804 51.7176 40.5241 173.9167 122 L 3.5388 8.4459 118.9952 55.5462 38.6416 176.2763 123 V 3.9966 7.5168 118.7617 60.4130 30.8652 172.7072 124 P 4.1425 0.0000 0.0000 62.4612 31.7737 176.6586 125 L 4.1454 8.1635 121.7082 54.8463 42.3806 177.3212 126 G 4.0294 9.7952 107.6813 46.2997 0.0000 174.2732 127 R 4.1677 8.0817 119.9882 56.4455 31.1800 174.9887 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 4.39 0.00 3.96 3.13 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 2 K 8.63 4.30 0.00 1.80 1.86 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.49 7.81 3 T 9.35 5.58 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 1.25 0.00 0.00 4 I 8.89 4.65 1.71 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.78 0.00 0.00 5 V 8.45 4.56 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 0.70 0.00 0.00 0.93 0.00 0.00 6 L 8.43 4.78 0.00 1.73 1.50 0.87 0.65 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 7 S 8.73 5.06 0.00 3.72 3.77 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 8 V 8.50 4.35 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 0.78 0.00 0.00 0.93 0.00 0.00 9 G 8.70 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 10 E 9.13 4.25 0.00 1.94 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 2.25 2.35 0.00 11 A 7.77 4.08 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 12 T 8.04 5.55 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 13 R 8.61 4.62 0.00 1.79 2.12 0.00 3.09 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 1.65 1.65 0.00 14 T 8.50 5.05 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 1.24 0.00 0.00 15 L 9.05 5.06 0.00 1.71 1.77 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.66 4.91 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 1.18 0.00 0.00 17 E 8.66 3.04 0.00 1.17 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 2.01 1.76 0.00 18 I 8.19 4.21 1.81 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 1.22 0.72 0.90 0.00 0.00 19 Q 7.54 4.53 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 20 S 8.38 4.19 0.00 3.98 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 21 T 7.92 4.40 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 22 A 7.88 4.26 1.23 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 0.00 0.00 0.00 23 D 7.95 4.45 0.00 2.86 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 24 R 7.76 4.81 0.00 1.81 1.94 0.00 3.24 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 1.74 1.65 0.00 25 Q 7.62 5.32 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 26 I 8.00 5.28 1.86 0.00 0.00 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 1.28 0.58 1.00 0.00 0.00 27 F 8.63 5.73 0.00 2.98 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 28 E 8.39 5.56 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 2.28 2.24 0.00 29 E 8.95 4.76 0.00 2.05 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 2.25 2.46 0.00 30 K 8.59 4.03 0.00 1.90 1.98 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.48 7.81 31 V 7.62 3.43 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 0.80 0.00 0.00 0.94 0.00 0.00 32 G 8.59 3.77 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 0.00 0.00 0.00 33 P 0.00 4.39 0.00 2.13 2.06 0.00 3.84 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 2.03 2.08 0.00 34 L 8.35 4.22 0.00 1.58 1.67 0.92 0.88 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 35 V 7.80 3.68 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 0.84 0.00 0.00 0.93 0.00 0.00 36 G 7.94 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 0.00 0.00 0.00 37 R 7.66 4.68 0.00 1.79 1.64 0.00 3.27 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.00 38 L 8.50 4.61 0.00 1.63 1.66 0.94 0.96 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 39 R 8.50 5.11 0.00 1.83 1.87 0.00 3.27 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 1.60 1.73 0.00 40 L 8.63 5.09 0.00 1.67 1.56 0.69 1.20 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 41 T 9.15 4.97 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 42 A 8.77 5.32 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 43 S 8.29 5.37 0.00 3.87 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 44 L 7.83 4.45 0.00 1.61 1.54 0.83 0.81 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 45 R 8.50 4.92 0.00 1.82 1.84 0.00 3.23 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 46 Q 8.75 5.34 0.00 1.87 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 47 N 8.65 4.47 0.00 2.96 3.03 0.00 0.00 6.16 7.59 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 48 G 8.29 3.73 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 0.00 0.00 0.00 49 A 8.16 4.18 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 50 K 7.83 3.60 0.00 1.79 1.78 0.00 1.82 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.17 1.40 7.81 51 T 7.44 4.04 4.19 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 1.23 0.00 0.00 52 A 7.61 4.71 1.16 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 53 Y 9.12 5.30 0.00 2.98 2.74 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 54 R 8.71 5.11 0.00 1.76 1.86 0.00 3.12 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 55 V 8.82 4.76 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 0.94 0.00 0.00 0.94 0.00 0.00 56 N 8.31 5.92 0.00 2.87 2.61 0.00 0.00 7.44 6.66 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 57 L 8.69 5.27 0.00 1.57 1.46 0.78 0.76 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 58 K 9.33 4.86 0.00 1.83 1.68 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 59 L 8.55 5.15 0.00 1.78 1.62 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.15 5.18 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 61 Q 8.94 4.74 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 62 A 8.47 4.87 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 63 D 8.98 4.73 0.00 2.91 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 64 V 8.30 4.86 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 0.75 0.00 0.00 0.96 0.00 0.00 65 V 8.62 4.51 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 0.96 0.00 0.00 0.86 0.00 0.00 66 D 8.81 5.06 0.00 2.68 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 67 C 8.44 4.68 0.00 2.99 2.95 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 0.00 0.00 0.00 68 S 8.07 4.65 0.00 3.97 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 0.00 69 T 7.82 4.17 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 70 S 8.14 4.24 0.00 3.85 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 71 V 7.94 4.11 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 0.95 0.00 0.00 0.93 0.00 0.00 72 C 8.28 4.04 0.00 2.97 2.84 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 73 G 9.24 4.22 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 74 E 7.71 4.72 0.00 1.97 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 2.20 2.23 0.00 75 L 8.03 4.95 0.00 1.49 1.52 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.63 0.00 1.92 1.99 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 77 K 8.66 4.64 0.00 1.66 1.60 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 78 V 8.21 4.22 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 0.79 0.00 0.00 0.92 0.00 0.00 79 R 8.50 3.89 0.00 1.31 1.40 0.00 3.06 0.00 0.00 2.87 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.38 0.00 80 Y 6.60 4.99 0.00 2.94 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 81 T 8.55 5.28 4.31 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 1.28 0.00 0.00 82 Q 9.04 4.78 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 83 V 7.90 5.37 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 0.73 0.00 0.00 0.94 0.00 0.00 84 W 8.58 4.64 0.00 3.52 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 85 S 8.59 5.90 0.00 4.03 3.92 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 86 H 8.79 4.98 0.00 3.11 3.27 0.00 5.57 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 87 D 8.93 5.38 0.00 2.66 2.59 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 88 V 8.35 4.32 2.13 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 1.03 0.00 0.00 1.00 0.00 0.00 89 T 8.49 5.11 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 1.24 0.00 0.00 90 I 8.93 4.63 2.01 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 1.16 0.78 0.99 0.00 0.00 91 V 8.47 4.01 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 1.03 0.00 0.00 0.95 0.00 0.00 92 A 8.25 4.07 1.28 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 93 N 7.99 4.76 0.00 2.84 2.94 0.00 0.00 5.97 7.64 0.00 0.00 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 S 7.44 4.17 0.00 4.03 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 95 T 8.27 4.36 4.33 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 1.24 0.00 0.00 96 E 8.84 3.96 0.00 2.03 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 2.38 2.38 0.00 97 A 8.05 4.00 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 98 S 8.11 4.02 0.00 4.08 4.18 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 99 R 7.87 3.96 0.00 1.96 2.08 0.00 3.18 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 100 K 8.67 3.81 0.00 2.10 1.72 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.63 7.81 101 S 8.19 4.02 0.00 4.14 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 0.00 102 L 8.03 3.90 0.00 1.83 2.00 0.95 0.68 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 0.00 103 Y 8.81 4.15 0.00 3.03 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 0.00 104 D 7.90 4.14 0.00 2.92 2.66 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 0.00 105 L 8.41 3.95 0.00 1.84 1.63 0.92 0.59 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 0.00 106 T 7.99 3.81 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 1.23 0.00 0.00 107 K 8.08 3.45 0.00 0.86 1.57 0.00 1.25 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.22 7.81 108 S 8.04 4.06 0.00 4.04 3.92 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 0.00 109 L 8.23 4.03 0.00 1.65 1.97 0.97 1.24 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 0.00 110 V 7.99 3.80 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 0.92 0.00 0.00 0.96 0.00 0.00 111 A 7.25 4.20 1.28 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 0.00 112 T 7.72 4.04 4.31 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 1.27 0.00 0.00 113 S 8.98 4.13 0.00 4.05 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 0.00 114 Q 8.18 3.97 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 115 V 7.90 3.58 2.40 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 1.24 0.00 0.00 1.05 0.00 0.00 116 E 8.39 3.87 0.00 2.12 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 0.00 2.34 2.44 0.00 117 D 8.72 4.39 0.00 2.93 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 0.00 118 L 8.19 4.05 0.00 1.83 1.91 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.87 3.46 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 0.76 0.00 0.00 1.02 0.00 0.00 120 V 7.97 3.78 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 0.90 0.00 0.00 1.00 0.00 0.00 121 N 8.44 4.80 0.00 2.75 2.80 0.00 0.00 7.17 7.80 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 0.00 122 L 8.45 3.54 0.00 1.75 1.80 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.52 4.00 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 0.80 0.00 0.00 0.92 0.00 0.00 124 P 0.00 4.14 0.00 2.06 2.00 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 125 L 8.16 4.15 0.00 1.63 1.61 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.80 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 0.00 127 R 8.08 4.17 0.00 1.75 1.76 0.00 3.40 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00