NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.8768 8.3501 109.7308 45.3681 0.0000 172.5523 7 A 4.4215 7.8540 127.3395 48.6779 22.3946 170.6409 8 V 3.9569 9.0668 122.7211 63.1090 33.5361 173.7908 9 I 4.3801 8.9148 129.0860 59.3585 38.8507 174.8613 10 A 4.4387 8.5933 130.2404 52.0482 18.8767 176.3290 11 C 4.6407 8.7062 121.9501 59.3275 28.4270 173.9072 12 H 4.7176 9.7757 122.2215 56.4900 29.3951 175.9534 13 T 4.8080 7.4504 109.2581 58.7544 73.1416 174.3940 14 K 4.0695 8.6196 122.0812 59.7967 32.2300 178.9454 15 Q 4.0420 8.1165 117.9559 58.8679 28.6659 178.2332 16 E 3.9467 8.3199 120.2613 59.1801 29.6711 178.2960 17 F 4.1522 8.3660 120.7004 61.7883 39.3316 176.8810 18 D 4.2251 8.6147 118.5839 57.5781 40.5885 178.7978 19 T 3.7794 8.0013 113.6172 65.4328 67.3579 176.1416 20 H 4.1804 7.9237 117.8452 58.8670 28.7106 177.5582 21 M 3.8146 7.9286 120.5088 58.2617 31.6880 178.6684 22 A 3.9232 8.1027 120.9496 55.0668 18.5991 178.9211 23 N 4.2643 8.2406 115.7716 56.9258 39.0846 177.1932 24 G 3.5561 8.0815 106.7748 47.5954 0.0000 175.3917 25 K 3.8784 8.0485 122.4776 59.2861 32.0042 178.2464 26 D 4.3652 8.2530 117.4095 57.2396 41.2949 177.5085 27 T 4.3422 7.8907 107.1277 61.1668 69.3078 175.2081 28 G 3.8654 7.4885 108.6078 46.4053 0.0000 173.4733 29 K 4.4775 7.5806 117.9499 54.3690 33.6207 176.7247 30 L 4.1588 8.4763 125.8340 55.4978 43.4595 175.5237 31 V 4.6247 8.7128 125.9575 61.0517 34.3328 174.0518 32 I 4.5163 8.4806 128.6205 59.5098 39.9055 174.3625 33 I 4.5536 8.4243 128.9969 59.6814 39.2067 174.5016 34 D 4.0744 8.9480 128.1177 52.5196 42.1026 175.3908 35 F 4.7614 8.4111 127.1603 57.1314 39.8891 175.0445 36 T 4.8184 8.8007 117.8867 60.3689 71.7910 171.9613 37 A 4.6079 7.5458 123.2613 50.1955 21.9883 177.7499 38 S 4.0530 8.4967 116.1147 60.6430 63.1666 175.6320 39 W 4.3913 7.3303 115.2627 57.1934 28.7620 176.1107 40 C 4.6038 7.3509 120.5302 57.9034 31.4309 173.4932 41 G 3.8018 8.7804 115.4332 47.8928 0.0000 171.9986 42 P 4.3075 0.0000 0.0000 65.3035 31.4877 178.4582 43 C 4.0686 7.9561 114.8045 62.7996 27.8225 176.0997 44 R 3.8937 7.7215 118.5316 59.2233 29.7439 178.8931 45 V 3.7322 7.5173 116.6000 66.1754 31.9187 177.6990 46 I 3.9201 7.9168 117.1524 62.8086 37.8372 177.3850 47 A 4.0905 7.7274 122.0132 55.0840 18.2637 177.7885 48 P 4.1947 0.0000 0.0000 65.8855 31.2686 178.6135 49 V 3.2792 7.6870 117.5272 65.7112 31.5091 177.6468 50 F 4.1588 8.3595 120.1077 61.2240 38.7814 176.8840 51 A 3.8501 8.1814 120.4484 55.2114 18.1343 179.5250 52 E 3.8269 7.9728 117.0573 59.6012 29.4951 179.0800 53 Y 4.4935 7.8246 116.7949 61.0666 37.6580 178.5164 54 A 2.5800 6.7813 120.6794 54.4327 18.3781 179.5645 55 K 3.9652 7.1910 115.5727 59.4326 32.2061 179.5170 56 K 3.9647 7.7080 117.5931 57.6234 33.5125 177.3319 57 F 5.1006 7.8458 117.3840 55.2262 39.0562 174.2071 58 P 4.3833 0.0000 0.0000 65.2365 31.6890 178.4582 59 G 3.7585 8.2533 106.0659 46.5844 0.0000 172.6259 60 A 4.9420 8.0838 120.8422 50.1139 22.5481 175.5116 61 I 4.4645 8.3784 119.9669 59.6870 39.7457 175.0822 62 F 5.0941 9.0064 125.7193 55.8960 41.1884 174.2719 63 L 5.2389 9.1140 124.7918 52.7608 44.5498 175.5477 64 K 4.7817 8.9468 124.2068 54.5430 35.0861 174.8674 65 V 4.4257 8.3703 126.9588 60.8646 34.5091 173.7950 66 D 4.8577 8.5781 128.7533 53.8470 41.2265 177.5423 67 V 3.7866 8.9905 120.6716 64.0482 31.7867 177.6576 68 D 4.6645 8.6029 118.4623 55.1706 41.3608 177.0337 69 E 4.2831 8.2458 119.1917 57.6508 30.7840 176.3713 70 L 4.7282 7.6146 119.3327 52.9035 41.2672 177.1133 71 K 4.3078 8.1853 123.1968 58.6830 32.5226 178.5121 72 D 4.3451 7.9984 119.2732 56.2670 39.6097 178.7504 73 V 3.5327 7.6950 118.9511 65.6440 31.7015 177.4155 74 A 3.5508 7.9662 120.5693 55.2128 18.0927 179.2121 75 E 3.7753 8.1274 117.2794 59.4457 29.5254 178.8297 76 A 3.8569 7.7907 119.4151 54.7565 18.3883 178.1760 77 Y 4.2603 7.4445 111.9770 56.6384 38.7815 175.2494 78 N 4.0043 7.9853 116.4505 54.0948 36.7103 175.4076 79 V 3.6243 7.5969 117.4971 62.9594 31.6192 174.9494 80 E 4.6541 8.6459 124.5887 55.7067 30.9954 175.4310 81 A 4.7315 7.6121 120.0936 51.0970 22.1115 175.6888 82 M 4.6632 8.4309 119.9166 52.6937 35.0128 174.2587 83 P 4.6007 0.0000 0.0000 62.7261 33.6651 174.9449 84 T 4.9862 8.1377 116.6581 61.8452 72.1259 172.9057 85 F 5.0709 9.4424 125.5488 55.9057 41.0909 174.7413 86 L 5.2835 8.6946 123.9353 53.0667 44.6804 175.3940 87 F 5.0917 9.4490 121.7837 55.8714 41.3958 174.5914 88 I 5.0976 9.0169 124.9884 59.3768 40.3922 174.7418 89 K 4.6216 8.9604 127.3296 55.3727 35.7667 175.8619 90 D 4.6470 9.9207 127.1453 55.5038 38.3772 174.7652 91 G 4.0559 8.5657 105.7666 45.3031 0.0000 173.4871 92 E 4.8006 7.7796 118.4275 53.6808 32.8145 175.3196 93 K 4.5132 8.8111 123.1941 57.1781 32.6656 176.7475 94 V 4.4897 8.5873 117.9828 61.4188 34.2141 174.4572 95 D 4.6739 8.0680 118.5122 54.1001 44.5265 173.8296 96 S 5.5518 8.4694 113.9767 57.3338 66.0779 173.7832 97 V 4.5561 9.3962 121.2978 61.3041 34.4940 174.1239 98 V 4.5203 8.8996 127.9383 62.6309 32.7194 176.2206 99 G 4.0625 9.4987 113.9791 45.3710 0.0000 173.7568 100 G 4.0383 8.1911 108.3532 44.5372 0.0000 176.4724 101 R 4.3757 7.4910 118.7439 54.6232 30.0067 177.9395 102 K 3.9837 8.6181 122.2548 59.5991 32.2448 178.0521 103 D 4.4018 8.1091 117.3760 57.4564 41.3002 177.5107 104 D 4.3919 8.2273 118.9327 57.6071 40.8340 178.8894 105 I 3.8326 7.8472 119.9381 64.6331 37.1415 177.8984 106 H 3.6166 8.0411 118.5635 59.4713 29.6947 177.0737 107 T 3.7921 8.1303 117.8088 66.9362 68.2626 176.6852 108 K 3.7587 7.9440 119.9548 59.0580 31.9362 179.4914 109 I 3.4965 7.5150 120.2249 64.3164 37.1216 178.6403 110 V 3.4511 7.4061 118.6113 65.8320 31.1531 177.9084 111 A 4.0054 7.6762 119.2333 55.2780 18.3346 179.3812 112 L 4.0556 7.7847 116.2537 57.8320 41.7574 179.2689 113 M 4.1512 7.9890 118.3934 55.7922 32.9113 176.4391 114 G 3.6024 7.4854 107.1632 47.0624 0.0000 174.3710 *115 S 4.2519 7.8008 117.4750 58.2396 63.0078 175.6997 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 6 G 8.35 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 7 A 7.85 4.42 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 8 V 9.07 3.96 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 1.02 0.00 0.00 0.81 0.00 0.00 9 I 8.91 4.38 1.77 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 1.09 0.61 0.73 0.00 0.00 10 A 8.59 4.44 1.13 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 0.00 0.00 11 C 8.71 4.64 0.00 2.96 3.12 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 12 H 9.78 4.72 0.00 3.24 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.45 4.81 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 1.26 0.00 0.00 14 K 8.62 4.07 0.00 1.90 1.92 0.00 1.96 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.81 1.65 7.81 15 Q 8.12 4.04 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 16 E 8.32 3.95 0.00 2.12 2.18 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 2.41 2.41 0.00 17 F 8.37 4.15 0.00 3.18 3.31 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 18 D 8.61 4.23 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.00 3.78 4.20 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 1.16 0.00 0.00 20 H 7.92 4.18 0.00 3.11 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 M 7.93 3.81 0.00 1.77 1.88 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.63 0.00 22 A 8.10 3.92 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 23 N 8.24 4.26 0.00 2.81 3.00 0.00 0.00 7.15 7.52 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 24 G 8.08 3.56 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 0.00 25 K 8.05 3.88 0.00 1.82 1.95 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 26 D 8.25 4.37 0.00 2.72 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 27 T 7.89 4.34 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 1.30 0.00 0.00 28 G 7.49 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 0.00 0.00 0.00 29 K 7.58 4.48 0.00 1.68 1.72 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.38 7.81 30 L 8.48 4.16 0.00 1.73 1.46 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.71 4.62 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 0.61 0.00 0.00 0.90 0.00 0.00 32 I 8.48 4.52 1.29 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.13 0.44 0.00 0.00 33 I 8.42 4.55 1.36 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.52 0.08 0.00 0.00 34 D 8.95 4.07 0.00 1.58 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 0.00 0.00 0.00 35 F 8.41 4.76 0.00 3.02 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 36 T 8.80 4.82 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 1.10 0.00 0.00 37 A 7.55 4.61 -0.16 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 38 S 8.50 4.05 0.00 3.87 3.93 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 39 W 7.33 4.39 0.00 3.45 3.20 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 40 C 7.35 4.60 0.00 1.78 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 41 G 8.78 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 42 P 0.00 4.31 0.00 2.18 2.16 0.00 3.65 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 2.17 2.23 0.00 43 C 7.96 4.07 0.00 2.98 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 44 R 7.72 3.89 0.00 1.99 1.99 0.00 3.32 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 45 V 7.52 3.73 2.24 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 0.81 0.00 0.00 1.02 0.00 0.00 46 I 7.92 3.92 2.00 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 1.66 1.19 1.19 0.00 0.00 47 A 7.73 4.09 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 48 P 0.00 4.19 0.00 2.24 2.30 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 49 V 7.69 3.28 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 0.61 0.00 0.00 0.85 0.00 0.00 50 F 8.36 4.16 0.00 3.24 3.29 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 51 A 8.18 3.85 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 52 E 7.97 3.83 0.00 1.93 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 2.45 2.39 0.00 53 Y 7.82 4.49 0.00 2.98 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 54 A 6.78 2.58 0.73 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 55 K 7.19 3.97 0.00 1.78 1.78 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.51 7.81 56 K 7.71 3.96 0.00 1.56 1.19 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.49 7.81 57 F 7.85 5.10 0.00 3.52 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 58 P 0.00 4.38 0.00 2.20 2.19 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 59 G 8.25 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 0.00 0.00 0.00 60 A 8.08 4.94 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 61 I 8.38 4.46 1.80 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 1.25 0.60 0.88 0.00 0.00 62 F 9.01 5.09 0.00 2.82 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 63 L 9.11 5.24 0.00 1.53 1.56 0.77 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.95 4.78 0.00 1.86 1.63 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.23 1.22 7.81 65 V 8.37 4.43 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 0.93 0.00 0.00 0.63 0.00 0.00 66 D 8.58 4.86 0.00 2.73 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 67 V 8.99 3.79 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 0.85 0.00 0.00 1.05 0.00 0.00 68 D 8.60 4.66 0.00 2.88 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 69 E 8.25 4.28 0.00 1.95 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 2.39 2.36 0.00 70 L 7.61 4.73 0.00 1.71 1.53 0.90 0.68 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 71 K 8.19 4.31 0.00 1.80 1.86 0.00 1.96 0.00 0.00 1.85 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.38 7.81 72 D 8.00 4.35 0.00 2.86 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 73 V 7.69 3.53 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 0.55 0.00 0.00 0.80 0.00 0.00 74 A 7.97 3.55 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 75 E 8.13 3.78 0.00 2.13 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 2.27 2.32 0.00 76 A 7.79 3.86 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 77 Y 7.44 4.26 0.00 2.56 2.79 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 78 N 7.99 4.00 0.00 2.81 2.83 0.00 0.00 6.85 7.36 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 79 V 7.60 3.62 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 0.59 0.00 0.00 -0.06 0.00 0.00 80 E 8.65 4.65 0.00 1.93 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 2.17 2.40 0.00 81 A 7.61 4.73 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 82 M 8.43 4.66 0.00 1.72 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 83 P 0.00 4.60 0.00 1.41 1.89 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 84 T 8.14 4.99 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 1.26 0.00 0.00 85 F 9.44 5.07 0.00 3.01 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 86 L 8.69 5.28 0.00 1.60 1.63 1.06 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 87 F 9.45 5.09 0.00 3.15 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 88 I 9.02 5.10 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.02 0.97 0.00 0.00 89 K 8.96 4.62 0.00 1.82 1.60 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.45 7.81 90 D 9.92 4.65 0.00 2.81 2.70 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 0.00 0.00 0.00 91 G 8.57 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 92 E 7.78 4.80 0.00 2.04 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 2.24 2.37 0.00 93 K 8.81 4.51 0.00 1.94 1.86 0.00 1.87 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.61 7.81 94 V 8.59 4.49 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 0.81 0.00 0.00 1.03 0.00 0.00 95 D 8.07 4.67 0.00 2.52 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 0.00 0.00 0.00 0.00 96 S 8.47 5.55 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 97 V 9.40 4.56 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 1.19 0.00 0.00 1.11 0.00 0.00 98 V 8.90 4.52 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 0.88 0.00 0.00 0.99 0.00 0.00 99 G 9.50 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 0.00 100 G 8.19 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 0.00 101 R 7.49 4.38 0.00 1.96 1.95 0.00 3.21 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 102 K 8.62 3.98 0.00 1.87 1.99 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.56 7.81 103 D 8.11 4.40 0.00 2.79 2.70 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 0.00 0.00 0.00 104 D 8.23 4.39 0.00 3.03 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 0.00 105 I 7.85 3.83 2.16 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.78 1.03 0.00 0.00 106 H 8.04 3.62 0.00 3.04 3.44 0.00 5.61 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 0.00 107 T 8.13 3.79 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 1.16 0.00 0.00 108 K 7.94 3.76 0.00 1.23 0.94 0.00 1.32 0.00 0.00 1.16 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.15 1.41 7.81 109 I 7.51 3.50 1.32 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 1.31 1.15 -0.48 0.00 0.00 110 V 7.41 3.45 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 1.01 0.00 0.00 0.90 0.00 0.00 111 A 7.68 4.01 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 0.00 112 L 7.78 4.06 0.00 1.61 1.69 0.64 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 113 M 7.99 4.15 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 114 G 7.49 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 *115 S 7.80 4.25 0.00 3.61 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 * Residues marked with a * may have inaccurate shift predictions.