NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4626 8.3049 120.3293 54.7966 33.4849 174.4808 2 E 3.8965 8.3230 119.2091 55.2847 28.9297 175.6279 3 A 3.9942 9.3948 126.3164 52.7952 19.6757 178.5626 4 L 4.0332 8.5077 122.9376 55.9482 41.9591 177.9435 5 G 3.7953 8.5536 103.2842 45.6608 0.0000 172.8567 6 A 4.5333 7.4558 116.3656 50.9428 22.0306 176.3979 7 D 4.7447 8.4941 121.3176 53.3777 42.5248 175.8711 8 V 4.6279 8.4151 122.5204 61.5192 34.4341 175.4588 9 T 4.4743 7.7316 122.5217 61.2855 68.5105 173.2423 10 Q 3.7506 8.2852 123.0557 55.8351 29.1912 177.9074 11 G 4.1483 8.6894 107.8822 45.9231 0.0000 172.4017 12 L 5.1094 8.1821 120.0220 52.8620 46.1618 175.1042 13 E 5.1646 8.7472 118.6832 54.0092 34.4504 175.3690 14 K 3.9802 8.3976 122.8283 58.3253 32.4734 177.2769 15 G 4.0032 8.9725 115.2689 45.0007 0.0000 173.8494 16 S 4.3508 8.1371 116.7531 58.4725 64.2041 173.1569 17 L 5.1805 8.4256 123.7502 53.3733 42.8995 175.6949 18 I 4.7286 8.8195 117.0493 59.1462 41.9132 174.3636 19 T 4.5570 8.5685 118.6882 63.2608 69.9598 174.4441 20 C 4.7435 8.7122 126.6019 57.4847 31.2253 173.9428 21 A 4.5339 8.3803 134.3793 49.7741 16.1916 174.3161 22 D 5.3187 7.6194 120.1957 52.8939 42.9881 176.6991 23 N 5.1257 8.4428 114.6501 53.0069 36.9671 176.6112 24 T 3.9104 8.5008 112.4811 64.2512 69.3864 175.1033 25 G 3.9536 8.3396 108.3581 45.0168 0.0000 172.4520 26 A 4.8306 7.5577 123.4486 50.8241 20.4642 176.7255 27 R 4.3345 9.0126 122.8051 57.8858 31.8863 176.0145 28 E 5.0233 8.0473 119.4819 54.2784 32.2088 174.1223 29 L 5.1829 8.9086 126.6711 52.7727 45.4139 175.1892 30 K 4.9585 8.8328 124.2329 54.2922 34.5543 175.4884 31 V 3.9712 8.6065 128.5228 63.5395 31.9209 176.2490 32 I 4.4245 8.5007 127.7137 62.6719 39.8733 175.7118 33 S 4.6314 7.6962 114.7404 57.6552 67.8420 174.0607 34 V 4.5326 8.1625 121.3235 61.0514 33.5272 174.4248 35 H 4.1253 9.0988 128.3118 58.1531 30.0389 174.4369 36 G 4.0106 8.5080 112.7730 46.3631 0.0000 171.7832 37 Y 4.7464 7.7467 119.0582 55.2475 40.4395 175.2163 38 S 4.4564 7.5126 120.2280 56.4198 66.8731 173.2224 39 G 3.9979 7.7381 113.6109 45.0746 0.0000 174.5552 40 T 4.4521 8.2275 118.3439 59.9269 70.0328 172.0809 41 K 3.9641 8.5032 125.3752 58.3358 32.2661 177.1594 42 N 4.4344 8.9077 120.5844 53.8732 37.4458 174.4514 43 R 4.0965 7.7780 119.0503 55.8859 30.6309 175.4519 44 H 4.5264 8.7453 123.3388 54.5561 29.4767 173.2427 45 P 4.6708 0.0000 0.0000 63.6754 31.6897 175.1302 46 K 5.0959 7.9527 122.8129 55.0566 34.9679 175.3126 47 A 4.7239 8.8787 123.3565 50.8261 23.2807 175.9083 48 G 4.2329 9.2587 107.1850 44.3755 0.0000 171.9950 49 L 4.1749 8.3198 119.5704 56.6424 41.8307 178.2631 50 G 4.0774 8.8401 111.0801 45.4645 0.0000 173.0393 51 D 4.8662 7.9022 120.0641 53.1997 43.1060 175.4631 52 K 4.7263 8.6684 123.5325 55.1617 33.7422 175.1434 53 I 4.9508 8.3828 120.9900 59.4202 41.1244 174.5429 54 T 4.8942 8.9018 120.1581 62.7017 70.3454 174.2279 55 V 5.1402 9.3488 125.2704 61.3149 36.1830 173.7757 56 S 5.1510 8.7343 117.0778 56.3132 66.5588 173.4937 57 V 4.2943 8.3152 122.9539 63.0664 31.5233 176.5913 58 T 4.0858 8.9219 126.3387 65.8183 69.0642 175.7059 59 K 4.5566 8.9196 119.1982 54.5212 36.3071 177.4991 60 G 3.8829 8.5739 109.1088 44.7412 0.0000 172.6280 61 T 3.9830 8.2706 111.5972 60.9760 69.2052 173.2468 62 P 4.1840 0.0000 0.0000 66.3508 31.0986 178.7061 63 E 3.9160 8.0819 115.3839 59.1710 29.6152 178.4573 64 M 4.2148 8.2473 118.8502 56.3680 32.4406 176.9818 65 R 4.0729 6.7820 117.3192 57.6296 30.6436 177.4450 66 R 3.9866 8.5822 118.8556 56.5952 29.2893 176.6277 67 Q 4.2315 7.5968 118.3313 55.5271 30.2540 175.4081 68 V 4.2855 8.3364 123.4489 61.9005 32.3832 174.3284 69 L 4.9003 8.8448 128.5607 52.8987 45.8264 174.8974 70 E 5.0537 8.3766 118.9693 55.2599 32.9072 174.2993 71 A 4.8361 8.3305 124.5185 51.3514 23.7333 174.9575 72 V 4.6258 8.2044 117.9926 60.9811 34.9691 174.8690 73 V 4.1052 8.4823 128.1681 63.1568 31.7520 176.1844 74 V 4.1309 8.9106 128.7844 63.8040 33.2504 175.4123 75 R 4.1756 7.4445 117.3071 55.1976 34.6672 173.7765 76 Q 4.9418 8.0108 118.4022 55.1124 31.6166 175.8662 77 R 4.3235 9.0739 120.2053 58.6418 30.4352 177.8539 78 K 4.2053 7.8490 118.1484 55.6409 33.2923 175.3071 79 P 4.9684 0.0000 0.0000 62.8183 32.8340 175.1122 80 I 4.9100 8.6653 114.4543 59.2688 41.5433 173.8508 81 R 4.9329 8.7283 124.5802 55.0604 31.8773 175.4635 82 R 4.6923 8.8322 125.5049 54.3933 31.8072 175.9749 83 P 4.1679 0.0000 0.0000 65.8973 31.4962 176.8346 84 D 4.6236 8.0740 114.9990 53.1272 39.4367 177.0339 85 G 4.0446 8.6644 110.2607 46.0195 0.0000 174.7184 86 T 4.1280 7.7519 116.0162 63.7797 69.5310 174.1385 87 R 5.0646 8.4058 123.0534 55.1119 32.6440 175.9240 88 V 4.5715 8.7028 120.6244 61.2455 35.0967 174.2166 89 K 5.0825 8.3536 124.9173 55.5240 35.8156 174.9368 90 F 4.7297 8.7830 119.2896 55.5207 41.9925 176.3684 91 E 4.0471 9.0500 120.1076 58.8063 29.7174 174.9996 92 D 4.7447 7.7364 115.5335 52.7613 42.5833 173.4888 93 N 5.2682 8.7592 114.7417 51.7758 41.2473 174.0757 94 A 5.2625 9.1731 124.1658 50.5626 23.3878 174.5942 95 A 5.0161 9.2356 120.6509 50.2532 23.6573 175.2915 96 V 4.5443 8.5118 119.5855 60.6350 34.3996 175.1753 97 I 4.3159 8.2711 129.2885 62.0333 37.9975 175.5358 98 V 4.8813 8.6353 125.6366 60.1956 35.0184 174.3972 99 D 5.0872 7.8556 120.0001 51.5571 41.8631 176.1576 100 E 3.9025 8.9150 117.2460 60.2342 29.3391 178.0607 101 N 4.5279 8.7413 113.2813 53.5823 38.9106 175.2842 102 E 3.7631 8.3068 116.9799 57.1187 26.9438 173.5414 103 D 5.1063 8.2950 118.0484 50.8759 41.7339 174.3662 104 P 4.4524 0.0000 0.0000 63.3175 31.4153 177.3642 105 R 3.9431 8.5178 122.1930 58.4941 30.2955 176.3541 106 G 4.1029 7.0740 103.1312 44.5523 0.0000 172.4861 107 T 4.4290 8.6058 113.5741 63.9441 70.5340 174.8675 108 E 4.8074 9.1862 119.8353 54.3792 33.8714 174.8235 109 L 5.0469 8.4944 122.6262 53.1972 43.5249 175.9617 110 K 4.2600 8.3020 124.0691 56.3271 33.1341 178.1203 111 G 3.9712 8.9458 110.7929 44.0898 0.0000 170.5045 112 P 4.8769 0.0000 0.0000 62.9781 32.5478 175.5622 113 I 4.7371 8.3421 118.7403 59.4983 42.0813 174.7591 114 A 4.8620 8.1785 127.1561 51.7324 19.1199 178.9215 115 R 3.8864 9.0048 119.1613 59.7404 29.0469 179.0068 116 E 3.9384 8.3642 118.6662 59.2532 29.3339 179.4349 117 V 3.4035 7.8677 117.9456 65.4663 31.4562 177.8980 118 A 4.0106 8.2238 121.2411 55.2669 18.1334 179.3451 119 Q 4.1105 7.2292 112.4595 57.6151 28.8681 177.5891 120 R 4.1134 7.8452 117.4926 56.7566 33.0088 175.8324 121 F 4.9718 7.7972 116.9784 54.1810 38.9362 175.2670 122 G 3.8510 8.2506 110.9389 48.2770 0.0000 172.0992 123 S 4.1081 8.1388 117.7595 60.0679 62.3671 176.8377 124 V 3.5990 7.7510 121.1019 65.6238 31.3267 177.7548 125 A 4.1054 8.1914 120.9068 55.1142 18.1351 179.8506 126 S 4.4554 8.7920 109.7102 58.9912 62.5926 174.9731 127 A 4.6622 7.5066 121.6568 51.7692 20.2015 177.1656 128 A 4.2563 8.1069 119.6998 52.2504 19.2267 178.0727 129 T 4.1892 8.5290 118.5271 66.0376 69.3171 175.0894 130 M 4.8299 7.8286 119.9258 53.4691 35.6440 174.6133 131 I 4.7366 8.3783 122.9885 59.5242 39.8760 175.5835 132 V 3.9463 8.4950 126.4565 62.9019 30.9988 175.6709 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 4.46 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 2 E 8.32 3.90 0.00 1.94 1.80 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 2.28 2.33 0.00 3 A 9.39 3.99 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 4 L 8.51 4.03 0.00 1.64 1.74 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.55 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 6 A 7.46 4.53 1.19 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 0.00 0.00 7 D 8.49 4.74 0.00 2.64 2.60 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 8 V 8.42 4.63 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 0.85 0.00 0.00 0.95 0.00 0.00 9 T 7.73 4.47 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 1.22 0.00 0.00 10 Q 8.29 3.75 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 11 G 8.69 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.18 5.11 0.00 1.63 1.50 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.75 5.16 0.00 1.88 1.79 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 2.22 2.23 0.00 14 K 8.40 3.98 0.00 1.73 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.52 7.81 15 G 8.97 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 16 S 8.14 4.35 0.00 3.85 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 17 L 8.43 5.18 0.00 1.51 1.59 0.95 0.76 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 18 I 8.82 4.73 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.12 0.89 0.00 0.00 19 T 8.57 4.56 4.30 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 1.20 0.00 0.00 20 C 8.71 4.74 0.00 2.97 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 21 A 8.38 4.53 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 22 D 7.62 5.32 0.00 2.68 2.61 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 0.00 0.00 0.00 23 N 8.44 5.13 0.00 2.72 2.91 0.00 0.00 5.98 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 24 T 8.50 3.91 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 1.27 0.00 0.00 25 G 8.34 3.95 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 0.00 0.00 0.00 26 A 7.56 4.83 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 27 R 9.01 4.33 0.00 1.76 1.96 0.00 3.08 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 28 E 8.05 5.02 0.00 2.01 1.85 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 2.26 2.44 0.00 29 L 8.91 5.18 0.00 1.57 1.49 0.89 0.74 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 30 K 8.83 4.96 0.00 1.75 1.74 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.61 3.97 2.21 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 0.88 0.00 0.00 0.94 0.00 0.00 32 I 8.50 4.42 1.98 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 0.97 0.91 0.00 0.00 33 S 7.70 4.63 0.00 3.75 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 34 V 8.16 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 0.94 0.00 0.00 0.82 0.00 0.00 35 H 9.10 4.13 0.00 3.20 3.37 0.00 6.15 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 36 G 8.51 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 0.00 0.00 0.00 37 Y 7.75 4.75 0.00 2.92 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 38 S 7.51 4.46 0.00 3.79 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 39 G 7.74 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 40 T 8.23 4.45 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 1.22 0.00 0.00 41 K 8.50 3.96 0.00 1.75 1.74 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 8.91 4.43 0.00 2.94 2.98 0.00 0.00 6.99 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 43 R 7.78 4.10 0.00 1.82 2.06 0.00 3.37 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 44 H 8.75 4.53 0.00 3.32 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.96 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 4.67 0.00 2.18 2.46 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 46 K 7.95 5.10 0.00 1.64 1.74 0.00 1.49 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.12 1.10 7.81 47 A 8.88 4.72 1.11 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 0.00 0.00 48 G 9.26 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 0.00 0.00 0.00 0.00 49 L 8.32 4.17 0.00 1.64 1.65 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.84 4.08 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 0.00 0.00 0.00 51 D 7.90 4.87 0.00 2.77 2.60 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 52 K 8.67 4.73 0.00 1.82 1.69 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.64 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.46 7.81 53 I 8.38 4.95 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.68 0.88 0.00 0.00 54 T 8.90 4.89 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 1.27 0.00 0.00 55 V 9.35 5.14 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 1.16 0.00 0.00 0.90 0.00 0.00 56 S 8.73 5.15 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 57 V 8.32 4.29 2.21 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 0.93 0.00 0.00 0.94 0.00 0.00 58 T 8.92 4.09 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 1.31 0.00 0.00 59 K 8.92 4.56 0.00 1.72 1.64 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.52 7.81 60 G 8.57 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 61 T 8.27 3.98 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 1.24 0.00 0.00 62 P 0.00 4.18 0.00 2.17 2.17 0.00 3.59 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 2.12 2.21 0.00 63 E 8.08 3.92 0.00 1.93 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 2.31 2.33 0.00 64 M 8.25 4.21 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.70 0.00 65 R 6.78 4.07 0.00 1.79 1.86 0.00 3.26 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 66 R 8.58 3.99 0.00 1.98 2.09 0.00 3.15 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 1.54 1.58 0.00 67 Q 7.60 4.23 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 68 V 8.34 4.29 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 69 L 8.84 4.90 0.00 1.55 1.52 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.38 5.05 0.00 1.98 1.70 0.00 0.00 0.00 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 2.25 0.00 71 A 8.33 4.84 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 72 V 8.20 4.63 1.78 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 0.96 0.00 0.00 -0.23 0.00 0.00 73 V 8.48 4.11 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 0.81 0.00 0.00 0.94 0.00 0.00 74 V 8.91 4.13 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 0.79 0.00 0.00 0.95 0.00 0.00 75 R 7.44 4.18 0.00 1.51 1.26 0.00 3.19 0.00 0.00 3.55 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.24 0.00 76 Q 8.01 4.94 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 77 R 9.07 4.32 0.00 1.86 2.07 0.00 3.15 0.00 0.00 3.03 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 78 K 7.85 4.21 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.56 7.81 79 P 0.00 4.97 0.00 2.13 1.96 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 80 I 8.67 4.91 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.85 0.99 0.00 0.00 81 R 8.73 4.93 0.00 1.92 1.83 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 82 R 8.83 4.69 0.00 1.80 1.82 0.00 3.22 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 83 P 0.00 4.17 0.00 2.04 2.14 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 84 D 8.07 4.62 0.00 2.78 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 85 G 8.66 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 86 T 7.75 4.13 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 1.19 0.00 0.00 87 R 8.41 5.06 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 88 V 8.70 4.57 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 0.75 0.00 0.00 0.90 0.00 0.00 89 K 8.35 5.08 0.00 1.97 1.71 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.41 7.81 90 F 8.78 4.73 0.00 3.33 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 91 E 9.05 4.05 0.00 1.97 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 2.31 2.26 0.00 92 D 7.74 4.74 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 5.27 0.00 2.62 2.71 0.00 0.00 6.48 7.08 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 94 A 9.17 5.26 1.11 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 0.00 0.00 95 A 9.24 5.02 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 96 V 8.51 4.54 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 1.00 0.00 0.00 0.93 0.00 0.00 97 I 8.27 4.32 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.55 0.90 0.00 0.00 98 V 8.64 4.88 1.90 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 0.58 0.00 0.00 0.78 0.00 0.00 99 D 7.86 5.09 0.00 2.89 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 0.00 100 E 8.91 3.90 0.00 1.97 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 2.31 2.34 0.00 101 N 8.74 4.53 0.00 2.95 2.86 0.00 0.00 7.20 7.60 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 0.00 102 E 8.31 3.76 0.00 2.20 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 0.00 2.18 2.28 0.00 103 D 8.29 5.11 0.00 2.85 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 0.00 104 P 0.00 4.45 0.00 2.19 2.18 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 105 R 8.52 3.94 0.00 1.79 1.97 0.00 3.22 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.07 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 0.00 0.00 0.00 107 T 8.61 4.43 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 0.00 108 E 9.19 4.81 0.00 1.81 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 2.21 2.25 0.00 109 L 8.49 5.05 0.00 1.51 1.58 0.96 0.94 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 0.00 110 K 8.30 4.26 0.00 1.58 1.74 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.38 7.81 111 G 8.95 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 0.00 0.00 0.00 112 P 0.00 4.88 0.00 2.27 2.17 0.00 3.80 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 2.16 2.11 0.00 113 I 8.34 4.74 1.90 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 1.14 0.68 0.91 0.00 0.00 114 A 8.18 4.86 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 0.00 115 R 9.00 3.89 0.00 2.07 2.25 0.00 3.01 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 116 E 8.36 3.94 0.00 2.10 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 2.42 2.62 0.00 117 V 7.87 3.40 2.21 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 1.22 0.00 0.00 0.97 0.00 0.00 118 A 8.22 4.01 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 0.00 119 Q 7.23 4.11 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 120 R 7.85 4.11 0.00 1.17 0.66 0.00 2.80 0.00 0.00 2.84 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.27 0.00 121 F 7.80 4.97 0.00 3.13 2.85 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 0.00 122 G 8.25 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 0.00 123 S 8.14 4.11 0.00 4.07 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 0.00 124 V 7.75 3.60 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 1.05 0.00 0.00 0.90 0.00 0.00 125 A 8.19 4.11 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 0.00 126 S 8.79 4.46 0.00 4.03 4.11 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 0.00 127 A 7.51 4.66 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 0.00 128 A 8.11 4.26 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 0.00 129 T 8.53 4.19 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 0.00 130 M 7.83 4.83 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.38 4.74 1.90 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 1.26 0.63 0.94 0.00 0.00 132 V 8.50 3.95 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 0.66 0.00 0.00 0.98 0.00 0.00