NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2390 8.3049 120.3421 55.6305 32.1298 173.4725 2 D 4.4192 8.0931 122.7368 51.8996 40.2979 174.3186 3 S 4.2390 8.7063 118.2631 56.7338 66.4144 171.9078 4 Y 4.9949 7.6282 121.2733 55.7572 42.0048 175.1124 5 V 3.8752 8.1560 121.0886 62.8839 32.5830 174.6580 6 E 5.0601 8.8456 127.6857 55.5487 30.9460 175.8651 7 V 4.5868 8.9554 123.3366 61.0300 35.2616 174.1155 8 K 5.1312 8.8849 126.0854 54.6324 34.8158 175.6317 9 G 4.2997 9.1511 111.3730 44.4199 0.0000 171.5159 10 V 4.9947 8.0417 113.5554 58.7585 34.5053 175.5789 11 V 3.8446 8.1591 124.4511 64.8353 31.8195 175.7474 12 G 4.0407 8.9609 114.6346 45.0810 0.0000 173.0508 13 H 5.0134 7.7245 115.6750 52.9556 32.1327 172.3184 14 P 4.7209 0.0000 0.0000 62.6610 32.1379 176.1086 15 V 4.4472 8.2461 122.9353 60.1412 34.1424 174.4944 16 T 4.8851 8.4221 119.7964 61.7251 71.3243 173.7158 17 L 4.3157 8.5251 126.4467 52.2273 43.1417 174.0858 18 P 4.6828 0.0000 0.0000 62.6342 32.1624 176.9909 19 C 5.2334 9.5766 125.5862 55.4883 46.8874 172.8197 20 T 5.5760 8.6851 115.3926 60.6604 71.6088 172.3516 21 Y 4.9689 8.3193 118.6857 55.7886 41.7923 174.0005 22 S 4.4512 8.8502 116.1401 58.2929 63.5169 173.7357 23 T 4.6840 8.2361 116.9637 61.7867 69.0407 176.2507 24 Y 4.5024 8.1234 122.2481 60.1355 37.9425 177.0129 25 R 4.1348 7.7257 117.8588 55.4434 30.6939 176.6382 26 G 4.0455 8.3498 103.3682 45.1382 0.0000 173.9843 27 I 3.9601 7.8397 119.7580 62.4287 37.6872 174.8726 28 T 4.5056 8.1802 114.9163 61.6624 71.5075 172.3399 29 T 4.5484 8.2222 114.2997 61.7883 70.8770 173.7375 30 T 5.4928 9.1067 118.6007 61.4897 73.3976 170.5325 31 C 4.8303 8.0678 118.4027 53.0699 43.6590 172.5581 32 W 5.1144 8.7716 120.1534 55.0701 32.2899 174.8757 33 G 4.3114 9.1815 109.5144 44.7535 0.0000 171.3365 34 R 4.1655 8.1580 122.1694 56.0735 31.0476 176.3751 35 G 3.7702 8.4310 112.3356 44.2868 0.0000 172.9337 36 Q 3.9160 7.9874 119.4475 55.5173 29.5539 176.3898 37 C 4.2877 8.0383 120.6648 56.6305 40.5590 170.6854 38 P 4.3044 0.0000 0.0000 63.1781 31.1345 176.1505 39 S 4.2483 8.6092 109.8990 58.5078 65.8206 174.8368 40 S 4.4536 8.0453 116.2082 56.1847 63.5413 174.1575 41 A 3.5546 8.3512 131.6815 52.5488 17.6031 176.0990 42 C 4.5838 8.2800 112.1483 56.0210 41.4908 173.1655 43 Q 4.5557 8.2961 120.9279 55.6910 30.2836 175.0725 44 N 4.2170 8.4864 118.2622 54.0914 35.4443 174.2931 45 T 4.2453 7.8781 112.5741 64.4665 69.3985 173.7677 46 L 4.7322 9.6153 125.9721 55.6588 44.6944 176.5001 47 I 6.0338 7.4815 116.7029 59.3883 42.2398 174.3623 48 W 5.7595 8.9580 123.0324 55.6349 33.4633 174.0928 49 T 5.3565 9.2852 114.3255 60.1716 70.8867 173.7498 50 N 4.7678 9.4210 118.3732 52.3236 38.4185 174.7146 51 G 3.8385 7.8674 110.1317 43.6402 0.0000 174.3462 52 H 4.8490 9.2263 116.8064 56.3345 31.1038 174.2543 53 R 4.7737 7.8297 113.2470 53.9279 32.5531 174.1266 54 V 4.2178 8.3792 118.8447 63.3717 31.9302 175.5541 55 T 4.7069 9.0038 116.0120 61.8028 70.7901 173.6219 56 Y 4.7226 7.9609 124.3991 56.3977 42.6198 173.3123 57 Q 4.8254 8.0722 124.3517 54.2431 30.9473 175.4232 58 K 3.9503 9.0285 127.4833 59.4052 32.8640 176.5768 59 S 4.5895 7.8675 110.4144 57.1481 65.4743 175.6930 60 S 4.3133 8.5823 119.6858 60.0929 63.0104 175.0230 61 R 3.9497 7.4855 119.9486 57.1510 30.1371 174.9144 62 Y 5.1963 7.4953 116.7424 56.3165 39.5428 175.0750 63 N 4.9975 8.9871 121.0602 51.6201 43.7813 174.0332 64 L 4.9466 8.4613 122.1731 52.6233 42.2111 176.1384 65 K 4.2609 8.5927 122.2018 56.0453 32.4314 177.3135 66 G 3.9342 7.5513 108.9665 44.3497 0.0000 174.3318 67 H 4.5603 8.3015 115.8839 54.4634 27.3341 176.0674 68 I 4.0063 8.6416 127.1995 63.6608 36.9765 177.5311 69 S 4.5004 8.0779 112.0643 60.4051 63.1920 175.2363 70 E 4.2728 8.2976 121.8212 56.7548 29.9701 176.1788 71 G 3.0878 7.1031 105.5509 45.5302 0.0000 173.0881 72 D 4.5574 8.1286 121.0195 53.7415 40.2746 176.0403 73 V 4.5820 8.3127 121.9947 61.0240 32.5401 176.6622 74 S 4.6055 8.4134 117.4110 58.8789 63.9928 173.4476 75 L 3.8421 8.0219 126.9300 54.3003 43.4417 175.3771 76 T 4.7648 8.4955 122.4202 61.8095 71.7156 173.2147 77 I 4.5521 8.1723 128.8944 59.8651 38.1786 175.4333 78 E 3.9421 8.8816 128.4735 57.3814 29.9371 177.2670 79 N 4.0178 8.8477 118.7772 54.0428 35.7638 174.0524 80 S 4.5588 8.1572 115.3632 58.1039 64.3895 174.7090 81 V 4.7699 8.8625 114.2737 59.3254 35.9439 176.4511 82 E 4.4779 8.7738 119.5315 59.1639 29.3913 180.0966 83 S 4.2266 8.1204 113.4955 61.5830 62.9872 175.3369 84 D 4.6687 8.2227 119.4209 56.4108 40.9018 177.2050 85 S 4.3900 7.7792 114.9574 58.2125 63.5447 175.2027 86 G 3.9102 7.7732 110.3850 45.1044 0.0000 171.1727 87 L 5.0409 7.6292 119.0811 54.3499 43.1867 175.8351 88 Y 5.1038 9.3293 119.0772 56.4116 42.7370 173.3734 89 C 5.3223 9.8454 122.6627 54.9301 46.6780 171.5829 90 C 4.0043 9.1724 126.8106 54.3255 39.9020 172.1771 91 R 4.8979 7.9779 126.9360 54.3382 32.5680 174.2053 92 V 4.1552 8.4975 126.9737 60.9530 33.6136 174.6582 93 E 5.4285 8.9557 128.9132 55.8138 28.5470 176.6112 94 I 4.3086 7.8445 117.5630 57.9224 39.8895 174.1972 95 P 4.1919 0.0000 0.0000 64.2043 31.7342 176.4844 96 G 4.1305 8.8113 107.2390 44.7263 0.0000 172.8788 97 W 4.3520 8.7520 129.8600 57.5003 31.9315 176.4018 98 F 3.7420 8.2425 128.7406 59.8693 37.0174 174.3467 99 N 4.9848 7.5224 112.0121 53.2842 40.3329 173.3801 100 D 4.5538 7.7143 115.7852 53.6116 42.5995 175.4991 101 Q 4.3377 8.8089 123.9573 55.9312 29.8556 174.6104 102 K 4.9185 8.4551 126.2167 54.5529 34.7244 176.1462 103 V 4.2351 8.4164 123.8261 61.5325 35.0016 173.8344 104 T 5.0173 8.3815 124.1387 62.0274 70.8875 173.5510 105 F 5.3006 10.2321 124.7868 55.7747 42.8404 174.7545 106 S 5.0989 9.3937 117.1639 56.7527 64.2686 172.1586 107 L 5.1485 9.2441 130.4027 53.7996 44.2571 175.2739 108 Q 4.7902 8.9640 123.7196 54.3001 32.8203 174.2602 109 V 5.3524 8.9045 125.3012 60.5693 33.6206 174.5296 110 K 4.9784 8.3685 126.7619 53.5606 35.8799 174.3293 111 P 4.6585 0.0000 0.0000 62.6430 31.8547 176.8320 112 E 4.0779 8.7067 122.4862 58.0395 29.9893 176.6045 113 L 4.5653 7.7038 119.4735 52.9462 44.5819 175.2087 114 V 4.2269 8.2529 125.7349 60.2109 32.4152 172.9051 115 P 4.1558 0.0000 0.0000 63.0266 31.8752 176.4829 116 R 4.0243 8.1258 120.4421 56.0633 30.0847 175.6468 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 4.24 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 2 D 8.09 4.42 0.00 2.70 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 3 S 8.71 4.24 0.00 3.64 3.57 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 4 Y 7.63 4.99 0.00 2.75 2.90 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 5 V 8.16 3.88 1.55 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 1.21 0.00 0.00 0.68 0.00 0.00 6 E 8.85 5.06 0.00 1.95 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 2.37 2.37 0.00 7 V 8.96 4.59 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 1.01 0.00 0.00 1.16 0.00 0.00 8 K 8.88 5.13 0.00 1.65 1.68 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.44 7.81 9 G 9.15 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 0.00 0.00 0.00 0.00 10 V 8.04 4.99 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 0.68 0.00 0.00 0.88 0.00 0.00 11 V 8.16 3.84 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 0.72 0.00 0.00 1.00 0.00 0.00 12 G 8.96 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 13 H 7.72 5.01 0.00 3.11 3.18 0.00 5.82 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 14 P 0.00 4.72 0.00 1.89 2.08 0.00 3.63 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 1.99 2.04 0.00 15 V 8.25 4.45 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 0.63 0.00 0.00 0.88 0.00 0.00 16 T 8.42 4.89 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 1.18 0.00 0.00 17 L 8.53 4.32 0.00 0.78 0.48 0.30 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.68 0.00 2.10 2.10 0.00 3.86 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 2.12 0.00 19 C 9.58 5.23 0.00 3.36 3.25 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 20 T 8.69 5.58 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 1.28 0.00 0.00 21 Y 8.32 4.97 0.00 3.15 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 22 S 8.85 4.45 0.00 3.87 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 23 T 8.24 4.68 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 0.99 0.00 0.00 24 Y 8.12 4.50 0.00 3.13 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 25 R 7.73 4.13 0.00 1.29 1.65 0.00 3.17 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.60 0.00 26 G 8.35 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.84 3.96 1.90 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 1.36 0.88 0.88 0.00 0.00 28 T 8.18 4.51 4.21 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 0.71 0.00 0.00 29 T 8.22 4.55 4.56 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 1.32 0.00 0.00 30 T 9.11 5.49 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 0.98 0.00 0.00 31 C 8.07 4.83 0.00 1.63 1.18 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 32 W 8.77 5.11 0.00 3.18 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 33 G 9.18 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 0.00 0.00 0.00 0.00 34 R 8.16 4.17 0.00 1.69 1.69 0.00 3.10 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.07 0.00 35 G 8.43 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 36 Q 7.99 3.92 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 37 C 8.04 4.29 0.00 2.99 2.93 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 38 P 0.00 4.30 0.00 2.16 1.91 0.00 3.76 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 1.89 1.90 0.00 39 S 8.61 4.25 0.00 4.24 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 40 S 8.05 4.45 0.00 3.96 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 41 A 8.35 3.55 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 42 C 8.28 4.58 0.00 2.75 2.86 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 0.00 0.00 0.00 43 Q 8.30 4.56 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.18 2.41 0.00 44 N 8.49 4.22 0.00 3.18 2.95 0.00 0.00 7.10 7.05 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 45 T 7.88 4.25 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 1.08 0.00 0.00 46 L 9.62 4.73 0.00 1.29 1.04 0.63 0.43 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 47 I 7.48 6.03 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.28 1.15 0.00 0.00 48 W 8.96 5.76 0.00 3.41 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 49 T 9.29 5.36 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 1.37 0.00 0.00 50 N 9.42 4.77 0.00 2.93 3.03 0.00 0.00 7.02 6.41 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 51 G 7.87 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 52 H 9.23 4.85 0.00 3.10 3.38 0.00 5.81 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.83 4.77 0.00 1.98 2.04 0.00 3.01 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 54 V 8.38 4.22 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 1.00 0.00 0.00 1.01 0.00 0.00 55 T 9.00 4.71 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 1.35 0.00 0.00 56 Y 7.96 4.72 0.00 3.26 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 57 Q 8.07 4.83 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 58 K 9.03 3.95 0.00 2.05 2.17 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.62 7.81 59 S 7.87 4.59 0.00 3.96 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 60 S 8.58 4.31 0.00 3.96 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 61 R 7.49 3.95 0.00 1.30 1.53 0.00 3.16 0.00 0.00 3.03 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 62 Y 7.50 5.20 0.00 2.95 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 63 N 8.99 5.00 0.00 2.54 2.60 0.00 0.00 6.46 6.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.46 4.95 0.00 1.53 1.69 0.82 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.59 4.26 0.00 1.69 1.79 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.38 7.81 66 G 7.55 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 0.00 0.00 0.00 67 H 8.30 4.56 0.00 3.28 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.64 4.01 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.94 1.08 0.00 0.00 69 S 8.08 4.50 0.00 4.12 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 70 E 8.30 4.27 0.00 2.11 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 0.00 2.33 2.41 0.00 71 G 7.10 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 0.00 0.00 0.00 72 D 8.13 4.56 0.00 2.72 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 73 V 8.31 4.58 2.35 0.00 0.00 0.00 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 1.18 0.00 0.00 74 S 8.41 4.61 0.00 3.88 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 75 L 8.02 3.84 0.00 0.27 0.13 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.50 4.76 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 1.15 0.00 0.00 77 I 8.17 4.55 1.74 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.25 0.77 0.00 0.00 78 E 8.88 3.94 0.00 1.71 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 2.24 2.36 0.00 79 N 8.85 4.02 0.00 2.73 2.75 0.00 0.00 7.06 7.57 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 80 S 8.16 4.56 0.00 3.92 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 81 V 8.86 4.77 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 0.76 0.00 0.00 0.97 0.00 0.00 82 E 8.77 4.48 0.00 2.08 2.04 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 2.42 2.53 0.00 83 S 8.12 4.23 0.00 3.87 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 84 D 8.22 4.67 0.00 2.79 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 85 S 7.78 4.39 0.00 3.99 3.96 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 86 G 7.77 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 87 L 7.63 5.04 0.00 1.43 1.37 0.80 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 9.33 5.10 0.00 3.04 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 89 C 9.85 5.32 0.00 3.02 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 90 C 9.17 4.00 0.00 1.26 2.64 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 0.00 0.00 0.00 0.00 91 R 7.98 4.90 0.00 1.61 1.38 0.00 2.91 0.00 0.00 2.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.32 0.00 92 V 8.50 4.16 1.87 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 0.19 0.00 0.00 0.76 0.00 0.00 93 E 8.96 5.43 0.00 1.88 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 0.00 2.44 2.08 0.00 94 I 7.84 4.31 1.87 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 1.32 0.58 0.86 0.00 0.00 95 P 0.00 4.19 0.00 2.07 2.07 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 96 G 8.81 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 0.00 0.00 0.00 97 W 8.75 4.35 0.00 3.37 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 98 F 8.24 3.74 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.52 4.98 0.00 2.88 2.72 0.00 0.00 7.32 8.47 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 0.00 100 D 7.71 4.55 0.00 2.43 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 0.00 0.00 0.00 0.00 101 Q 8.81 4.34 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 102 K 8.46 4.92 0.00 1.53 1.56 0.00 1.60 0.00 0.00 1.42 0.00 0.00 2.67 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.16 1.41 7.81 103 V 8.42 4.24 1.94 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 0.30 0.00 0.00 0.83 0.00 0.00 104 T 8.38 5.02 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 0.52 0.00 0.00 105 F 10.23 5.30 0.00 3.16 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 0.00 106 S 9.39 5.10 0.00 4.04 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 0.00 107 L 9.24 5.15 0.00 1.89 1.69 0.75 0.52 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 0.00 108 Q 8.96 4.79 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 109 V 8.90 5.35 2.25 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 1.14 0.00 0.00 0.93 0.00 0.00 110 K 8.37 4.98 0.00 1.72 1.66 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.44 7.81 111 P 0.00 4.66 0.00 2.04 1.99 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.25 0.00 112 E 8.71 4.08 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 2.30 2.29 0.00 113 L 7.70 4.57 0.00 1.56 1.48 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.25 4.23 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 0.90 0.00 0.00 0.94 0.00 0.00 115 P 0.00 4.16 0.00 2.07 2.02 0.00 3.76 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 2.04 2.12 0.00 116 R 8.13 4.02 0.00 1.78 1.78 0.00 3.27 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 1.61 1.69 0.00