NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9096 8.3549 109.7367 45.5966 0.0000 172.6572 2 L 4.5878 8.1885 120.0225 52.7922 44.9717 172.0445 3 E 4.9479 9.1854 121.3091 54.4572 31.9439 176.5809 4 C 4.3081 8.9375 123.0562 57.7193 40.8527 173.2598 5 D 4.9223 8.5331 123.4629 51.7903 41.6917 176.2375 6 G 4.0373 8.5243 108.9027 45.7892 0.0000 173.7332 7 K 4.3388 8.2210 120.1886 57.3439 34.0361 177.0430 8 V 3.7926 8.0292 117.8241 61.7283 31.8442 175.7359 9 N 4.6325 8.7073 120.3713 53.6170 39.2708 174.8252 10 I 4.5734 7.3320 111.7557 59.5160 39.5513 175.9508 11 C 4.2358 8.1635 122.8200 57.7164 38.2728 170.6458 12 C 5.1241 9.2542 119.8204 53.6804 45.2156 172.7494 13 K 4.4862 8.8354 121.6865 55.9153 33.0888 175.1934 14 K 4.4931 8.9172 129.8271 54.6377 33.7968 175.1185 15 Q 4.6184 8.5462 129.1036 56.1741 30.2418 175.1900 16 F 4.8770 9.3128 128.7183 57.4502 42.6099 172.4291 17 F 4.6786 8.4587 129.3676 56.6659 40.8677 175.0332 18 V 3.7992 6.9583 124.9996 59.5645 33.9533 174.1955 19 S 4.3838 8.0845 120.0121 57.0286 63.5429 174.9500 20 F 4.5130 8.7590 126.3660 60.1693 38.5738 177.8134 21 K 4.1933 8.1649 120.4481 59.1222 31.7685 178.0354 22 D 4.4135 7.8558 117.7241 57.1081 40.9297 178.2687 23 I 4.2121 7.3107 109.7980 60.4394 38.0422 176.2365 24 G 4.0688 7.9675 108.6236 46.0157 0.0000 174.3667 25 W 4.9818 8.9675 119.8983 56.7200 29.6348 177.6665 26 N 5.0540 8.5716 115.3128 53.7536 37.0197 176.4971 27 D 4.4488 8.2489 118.5714 55.3353 40.1205 177.0174 28 W 4.6076 8.6453 119.4043 57.0462 30.2800 175.5239 29 I 4.6355 7.7010 119.5674 59.6407 37.4414 176.2563 30 I 3.8726 8.6438 127.6859 63.7277 37.5596 176.8304 31 A 4.6800 7.4966 121.0005 50.2782 21.8414 174.3756 32 P 4.7855 0.0000 0.0000 61.8450 33.4930 175.9715 33 S 4.4689 8.7127 111.3055 60.5408 63.4998 173.6122 34 G 3.4795 7.3618 107.3681 46.0920 0.0000 170.8114 35 Y 4.4525 6.3279 115.9230 56.6918 41.7038 173.4329 36 H 4.6996 8.9051 117.2835 54.8269 28.1939 175.3025 37 A 3.7251 7.7548 126.7669 52.8972 19.5108 177.7415 38 N 4.8355 8.4094 114.3162 53.2676 38.6220 171.9484 39 Y 4.8435 8.1352 115.8513 57.0866 41.7773 172.3213 40 C 5.4127 8.6523 116.2992 55.4808 42.7807 173.5150 41 E 4.7480 8.4359 120.7687 55.8562 33.1421 173.6430 42 G 4.4926 8.8991 110.7151 43.0365 0.0000 173.4012 43 E 4.2216 8.8343 121.1336 56.4428 30.5867 176.2737 44 C 5.2215 8.2936 116.6269 55.0023 40.5035 171.6819 45 P 4.4531 0.0000 0.0000 62.4968 33.1376 178.3678 46 S 3.3943 7.4162 112.1505 59.1686 60.3509 173.3084 *57 S 4.2441 7.5712 113.9294 57.7517 64.1938 171.9696 58 F 3.9825 8.9031 130.8440 61.8333 39.0297 176.6560 59 H 4.1167 8.3820 116.9377 59.5749 29.7730 177.2140 60 S 4.1012 8.1033 116.3802 61.6849 62.6717 176.3202 61 T 3.7558 8.5352 119.5540 67.1123 68.0704 176.8887 62 V 3.5118 7.5513 113.7459 64.1190 31.5130 178.7215 63 I 3.2837 7.3239 119.4758 64.2782 36.8929 177.8598 64 N 4.2628 8.4631 118.2413 56.7364 38.5890 176.1207 65 H 3.8750 7.9443 119.6406 59.7378 29.6465 176.9025 66 Y 4.1177 7.7266 118.2744 60.8360 37.4920 178.0930 67 R 4.1245 8.0385 118.9456 60.0738 30.2496 178.2601 68 M 4.2203 7.8368 116.9140 57.3504 32.0815 177.2132 69 R 4.2817 7.1941 117.0741 55.6381 31.1228 175.9123 70 G 3.9165 8.3303 106.4142 46.2044 0.0000 174.2584 71 H 4.5048 7.8365 118.4296 54.2930 29.0780 176.8889 72 S 4.2616 8.5613 119.3466 59.4414 62.5158 173.4359 73 P 4.0423 0.0000 0.0000 65.8864 31.4501 177.1735 74 F 4.9600 7.5421 113.3924 57.0363 40.1575 177.3399 75 A 4.0465 8.2867 124.7471 55.1784 18.1348 178.4505 76 N 4.6664 7.9996 109.2193 52.9381 39.0172 174.7638 77 L 4.2748 7.5894 121.6014 54.0531 41.8651 176.4195 78 K 4.2417 8.4594 126.4014 56.0698 32.9142 176.5030 79 S 4.6140 8.4848 118.1688 57.8356 63.3180 172.8338 80 C 4.9921 9.7535 124.8433 57.8465 32.3912 172.4065 81 C 4.9829 8.7222 121.5309 56.3808 44.0312 172.9723 82 V 4.7514 8.8258 119.0851 58.8185 36.3232 173.2037 83 P 4.8891 0.0000 0.0000 63.2928 31.3613 176.5045 84 T 4.6383 9.3618 112.7536 61.3176 70.8170 173.9510 85 K 4.7305 7.8692 123.1765 54.9240 35.8838 174.5521 86 L 5.4036 8.5763 125.3561 53.0163 45.5774 175.6280 87 R 4.8449 8.9778 122.5587 53.8795 33.2433 173.5258 88 P 5.1286 0.0000 0.0000 62.8737 33.1159 174.6739 89 M 4.8483 8.8340 118.8075 53.9028 36.0375 173.7058 90 S 4.5585 8.7096 120.4007 58.6345 63.4594 172.8055 91 M 5.1035 9.1633 125.9516 53.7869 36.1658 173.5293 92 L 5.4206 9.1206 125.0601 53.1244 44.6795 175.1525 93 Y 5.2108 8.2791 120.8566 55.9100 41.8650 173.5362 94 Y 4.9620 8.9859 118.9462 57.7886 38.7575 175.1700 95 D 5.1554 8.9550 122.8563 51.7367 42.2315 177.0383 96 D 4.6489 9.1280 118.1891 56.3844 40.8300 177.6800 97 G 4.0216 8.2194 107.0082 44.1700 0.0000 173.5030 98 Q 3.5024 9.1321 116.4121 57.2236 27.8467 173.2821 99 N 5.0968 10.9146 114.1607 52.0727 41.9948 176.2073 100 I 4.0515 8.3615 124.1265 61.3113 37.8531 175.2312 101 I 4.2173 8.6539 129.1486 59.1389 39.5207 174.5361 102 K 4.8486 8.2044 127.6234 54.6053 33.9475 175.0721 103 K 4.6050 8.7091 126.7712 55.2715 36.3090 174.1279 104 D 4.9926 8.8190 127.0488 54.4844 41.5974 175.4957 105 I 4.4281 8.6694 125.0712 59.7061 39.1464 175.8728 106 Q 4.4454 8.7277 125.7028 56.1139 29.8549 174.7522 107 N 4.2625 8.4719 113.8626 55.0761 36.0095 175.2777 108 M 4.5347 8.2134 117.5275 56.4559 34.1157 177.8061 109 I 4.6974 7.8601 119.7062 59.1253 40.4771 175.4218 110 V 3.9809 8.7785 128.1861 63.2383 31.0112 174.9022 111 E 4.5130 8.9716 129.8169 57.4069 31.0423 175.5710 112 E 4.8031 7.9611 118.2875 54.9112 33.3293 174.5127 113 C 5.5144 8.7949 121.9461 55.5332 43.8358 173.0104 114 G 4.2565 8.9032 107.8264 45.3981 0.0000 170.9028 115 C 5.2661 8.5914 117.5583 55.8252 41.5968 174.4239 116 S 4.3938 8.6842 116.7622 58.6820 62.4671 173.9621 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 G 8.35 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 2 L 8.19 4.59 0.00 1.63 1.55 0.91 0.57 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 3 E 9.19 4.95 0.00 1.80 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 2.18 2.28 0.00 4 C 8.94 4.31 0.00 2.75 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 5 D 8.53 4.92 0.00 2.72 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 6 G 8.52 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 7 K 8.22 4.34 0.00 1.66 1.88 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.43 7.81 8 V 8.03 3.79 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 0.72 0.00 0.00 0.95 0.00 0.00 9 N 8.71 4.63 0.00 2.76 3.17 0.00 0.00 6.88 7.26 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 10 I 7.33 4.57 1.86 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 1.22 0.54 0.90 0.00 0.00 11 C 8.16 4.24 0.00 3.04 3.09 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 0.00 0.00 0.00 0.00 12 C 9.25 5.12 0.00 2.99 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 13 K 8.84 4.49 0.00 1.83 1.67 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.33 7.81 14 K 8.92 4.49 0.00 1.13 0.74 0.00 1.40 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.96 1.18 7.81 15 Q 8.55 4.62 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 16 F 9.31 4.88 0.00 3.41 3.06 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 17 F 8.46 4.68 0.00 2.74 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 18 V 6.96 3.80 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 0.04 0.00 0.00 0.53 0.00 0.00 19 S 8.08 4.38 0.00 4.00 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 20 F 8.76 4.51 0.00 3.31 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 21 K 8.16 4.19 0.00 1.91 1.87 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.47 7.81 22 D 7.86 4.41 0.00 2.83 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 23 I 7.31 4.21 1.45 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 -0.10 0.69 0.00 0.00 24 G 7.97 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 25 W 8.97 4.98 0.00 3.45 3.11 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 0.00 0.00 0.00 0.00 26 N 8.57 5.05 0.00 3.02 3.35 0.00 0.00 6.50 8.07 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 27 D 8.25 4.45 0.00 2.57 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 28 W 8.65 4.61 0.00 3.54 3.28 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 29 I 7.70 4.64 1.71 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.93 0.68 0.00 0.00 30 I 8.64 3.87 1.91 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.24 0.88 0.00 0.00 31 A 7.50 4.68 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 32 P 0.00 4.79 0.00 2.43 2.20 0.00 3.96 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.02 0.00 33 S 8.71 4.47 0.00 4.13 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 34 G 7.36 3.48 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 0.00 0.00 0.00 35 Y 6.33 4.45 0.00 2.95 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 36 H 8.91 4.70 0.00 3.07 3.50 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.75 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.41 4.84 0.00 3.08 2.99 0.00 0.00 6.87 7.56 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 39 Y 8.14 4.84 0.00 2.97 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 40 C 8.65 5.41 0.00 2.89 3.02 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 0.00 0.00 0.00 41 E 8.44 4.75 0.00 2.00 1.67 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 2.21 2.32 0.00 42 G 8.90 4.49 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 0.00 0.00 0.00 43 E 8.83 4.22 0.00 2.04 1.88 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 2.33 2.37 0.00 44 C 8.29 5.22 0.00 3.03 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 45 P 0.00 4.45 0.00 2.17 2.05 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 46 S 7.42 3.39 0.00 3.91 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 *57 S 7.57 4.24 0.00 3.98 3.89 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 58 F 8.90 3.98 0.00 3.20 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 59 H 8.38 4.12 0.00 3.33 3.33 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.10 4.10 0.00 3.89 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 61 T 8.54 3.76 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 0.99 0.00 0.00 62 V 7.55 3.51 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 0.62 0.00 0.00 0.88 0.00 0.00 63 I 7.32 3.28 1.84 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 0.53 0.00 0.00 64 N 8.46 4.26 0.00 2.83 2.90 0.00 0.00 6.87 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 65 H 7.94 3.88 0.00 3.12 3.22 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.73 4.12 0.00 3.30 3.26 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 67 R 8.04 4.12 0.00 1.92 2.17 0.00 3.29 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 68 M 7.84 4.22 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.97 0.00 69 R 7.19 4.28 0.00 2.01 1.99 0.00 3.18 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 70 G 8.33 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 0.00 0.00 0.00 71 H 7.84 4.50 0.00 3.66 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.56 4.26 0.00 3.77 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 73 P 0.00 4.04 0.00 0.49 1.37 0.00 3.83 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 74 F 7.54 4.96 0.00 3.25 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 75 A 8.29 4.05 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 76 N 8.00 4.67 0.00 2.73 2.87 0.00 0.00 6.84 7.85 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 77 L 7.59 4.27 0.00 1.80 1.92 1.16 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.46 4.24 0.00 1.81 1.74 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.44 7.81 79 S 8.48 4.61 0.00 3.88 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 80 C 9.75 4.99 0.00 2.78 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 81 C 8.72 4.98 0.00 3.13 3.02 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 0.00 0.00 0.00 82 V 8.83 4.75 2.10 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 0.70 0.00 0.00 0.99 0.00 0.00 83 P 0.00 4.89 0.00 1.97 2.02 0.00 3.64 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 2.07 2.13 0.00 84 T 9.36 4.64 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 K 7.87 4.73 0.00 1.82 1.64 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.49 7.81 86 L 8.58 5.40 0.00 1.62 1.55 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.98 4.84 0.00 1.88 1.80 0.00 3.12 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 88 P 0.00 5.13 0.00 2.13 2.28 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 89 M 8.83 4.85 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 90 S 8.71 4.56 0.00 3.94 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 91 M 9.16 5.10 0.00 2.16 1.81 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.77 0.00 92 L 9.12 5.42 0.00 1.54 1.42 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.28 5.21 0.00 3.21 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 94 Y 8.99 4.96 0.00 3.04 2.97 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 95 D 8.95 5.16 0.00 2.82 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 96 D 9.13 4.65 0.00 2.73 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 97 G 8.22 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 9.13 3.50 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 99 N 10.91 5.10 0.00 3.17 2.72 0.00 0.00 7.10 7.29 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 0.00 100 I 8.36 4.05 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.35 0.65 0.00 0.00 101 I 8.65 4.22 0.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.81 0.61 0.00 0.00 102 K 8.20 4.85 0.00 1.66 1.61 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.38 7.81 103 K 8.71 4.61 0.00 1.92 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.46 7.81 104 D 8.82 4.99 0.00 2.62 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 0.00 105 I 8.67 4.43 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.83 0.00 0.00 106 Q 8.73 4.45 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 107 N 8.47 4.26 0.00 2.88 2.92 0.00 0.00 6.90 7.66 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 0.00 108 M 8.21 4.53 0.00 1.89 2.13 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 109 I 7.86 4.70 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.11 1.06 0.00 0.00 110 V 8.78 3.98 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 0.73 0.00 0.00 1.01 0.00 0.00 111 E 8.97 4.51 0.00 2.04 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 0.00 2.27 2.30 0.00 112 E 7.96 4.80 0.00 2.05 1.71 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 2.32 2.34 0.00 113 C 8.79 5.51 0.00 2.84 2.94 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 0.00 114 G 8.90 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 0.00 115 C 8.59 5.27 0.00 2.86 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 0.00 116 S 8.68 4.39 0.00 3.88 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 * Residues marked with a * may have inaccurate shift predictions.