NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2391 8.3344 116.7854 58.4565 64.9878 173.8178 -7 D 5.3456 7.5849 122.9128 51.1708 40.6820 174.0334 -6 P 4.0885 0.0000 0.0000 65.4232 32.2524 177.8157 -5 S 5.1297 8.1383 111.3670 58.7191 63.2311 174.6686 -4 S 4.7501 8.3241 116.5982 58.3259 64.0079 176.0521 -3 I 4.3067 7.7823 122.7792 63.4835 37.4435 177.6505 -2 N 5.1285 7.5626 115.6692 52.0595 39.5913 176.3309 -1 G 3.9945 7.8701 107.1278 44.6087 0.0000 172.3535 -7 G 4.6656 7.5749 111.3128 42.0708 0.0000 172.6334 -6 I 3.8385 9.2345 128.5662 63.2232 38.9524 176.9157 -5 V 4.7797 7.8583 114.8670 62.6191 32.3311 176.3686 -4 V 4.4001 8.0441 120.0982 62.2259 33.1079 177.7521 -3 A 4.4567 8.0223 126.6792 54.8835 17.7435 179.0505 -2 M 4.8685 7.4426 116.5692 54.3595 33.5913 177.4309 -1 T 4.3845 7.6901 111.9278 61.3087 68.0972 172.1535 8 G 4.0069 8.6017 112.7259 44.1521 0.0000 171.6196 9 K 4.0354 8.6769 122.6658 56.6327 31.5608 176.8519 10 D 4.4778 8.7114 127.0726 54.6453 38.5892 173.2792 11 C 4.7124 7.4707 110.4005 57.6286 32.1620 172.4822 12 V 5.0051 7.8938 112.0471 59.8589 35.3696 174.5835 13 A 4.6923 8.4316 123.5133 50.2025 22.1638 175.3112 14 I 5.2866 8.1642 119.9220 59.3967 40.9650 174.0628 15 A 4.9732 8.4848 129.4078 50.7724 22.5681 174.1518 16 C 5.3709 8.2638 112.1915 57.4882 32.4894 173.2827 17 D 4.7330 8.5453 120.3221 52.6312 41.3817 175.8162 18 L 5.0597 8.1972 114.4309 53.6081 43.4780 176.6514 19 R 4.6652 8.2368 119.4029 56.2116 31.4200 175.9609 20 L 4.3509 8.6864 126.4429 54.0661 45.1061 174.7362 21 G 4.5274 8.4541 112.5515 44.5636 0.0000 171.8842 22 S 4.6038 9.0557 114.4908 55.6516 63.0377 175.5566 23 Q 3.6602 8.6261 128.8782 56.5897 27.0759 177.1511 24 S 4.1854 8.9219 122.5748 61.4371 63.3637 173.9159 25 L 4.1466 7.8382 124.2934 54.0519 42.1534 176.0119 26 G 4.0096 8.5716 115.7306 45.4080 0.0000 172.8257 27 V 4.2184 8.5503 122.4034 63.5076 34.0140 175.9516 28 S 4.6757 7.6984 112.5174 56.8108 65.2550 173.2056 29 N 5.1153 8.8400 122.9875 52.7115 37.3356 174.6486 30 K 4.5917 7.9881 114.6336 56.7628 34.5190 177.1158 31 F 4.5364 8.4747 125.5800 57.2878 38.5736 173.9899 32 E 4.0917 8.1795 123.3101 55.6404 30.3186 176.5079 33 K 4.2779 8.4003 120.7884 56.0115 33.9760 175.0621 34 I 4.7257 6.9823 120.7468 59.5374 39.4283 174.7749 35 F 4.9803 9.1890 124.1945 56.2120 44.0414 173.0950 36 H 5.0501 7.4555 113.3925 54.0479 31.8611 172.6205 *38 Y 4.7268 7.9505 116.4455 58.8470 38.8182 175.5895 39 G 4.0502 8.1457 117.6472 47.1352 0.0000 172.6536 40 H 4.6968 8.9126 120.5465 54.9518 28.9397 174.2258 41 V 4.2308 7.2347 121.1479 61.7749 33.1100 174.4449 42 F 5.0893 9.4243 126.9953 55.6648 41.7509 174.4731 43 L 5.3355 9.5152 125.2534 53.4726 44.9611 175.3137 44 G 4.5658 9.5018 114.0896 44.9799 0.0000 172.5613 45 I 5.1337 8.7811 123.2829 59.9991 40.9979 175.0690 46 T 4.4594 8.4304 117.8518 60.2121 71.6560 172.2303 47 G 4.0581 8.7543 105.1163 43.9740 0.0000 173.1871 48 L 4.1437 8.9721 124.3057 54.9725 42.4614 178.2402 49 A 4.1732 9.9487 129.0403 56.0425 18.1130 178.9158 50 T 3.8197 8.0041 110.6200 65.5379 67.3784 175.7659 51 D 4.3659 8.1520 120.3733 56.9386 40.9924 178.6453 52 V 3.6576 7.9658 118.9620 66.3037 31.5873 178.3031 53 T 3.8271 8.3473 115.6477 66.9509 68.2639 176.8657 54 T 3.7526 7.9439 117.6104 66.6321 68.3981 176.7315 55 L 3.3265 8.0890 121.1139 57.3484 41.5167 179.0825 56 N 4.2859 7.6616 118.2522 56.2159 38.7973 176.6812 57 E 3.9367 7.9444 119.8801 59.5681 29.4105 179.1668 58 M 3.7349 7.9061 118.3781 58.7107 32.2266 178.4355 59 F 4.3796 7.9567 118.0146 59.9975 38.8983 177.8139 60 R 3.8923 8.1671 118.8902 59.5256 29.9030 177.4338 61 Y 4.1128 7.9688 119.3877 61.1613 38.7089 178.7431 62 K 4.2982 8.6507 119.5666 59.6145 32.2449 179.4395 63 T 4.1088 8.3550 110.0311 64.1323 68.7541 176.7984 64 N 4.3357 8.3754 120.0942 56.4618 38.6685 177.3320 65 L 4.0186 7.7683 120.1659 57.7329 41.6643 178.8853 66 Y 3.9863 8.1565 119.6829 60.6396 38.7215 178.1976 67 K 4.5610 8.1637 121.7498 59.1598 32.1002 178.7850 68 L 3.9914 7.7803 118.2480 57.2684 41.5315 179.1583 69 K 4.1652 7.7161 117.3739 59.0220 33.0692 178.8629 70 E 3.9014 8.4405 118.5615 56.6962 29.1403 177.2251 71 E 4.2990 8.3057 117.2751 56.5424 27.6264 174.0919 72 R 4.5313 7.1383 109.8438 55.2246 32.5291 173.7664 73 A 4.4949 8.3749 121.8985 51.3290 19.4745 177.5952 74 I 3.6968 8.0756 120.8066 61.0122 38.6568 175.8742 75 E 4.6279 8.2206 124.4835 54.0085 32.7502 175.5302 76 P 4.3490 0.0000 0.0000 66.1354 31.2479 178.7133 77 E 3.9794 8.2245 116.5129 59.8681 29.4302 179.6245 78 T 3.8932 7.8190 115.0179 66.6184 68.6890 176.3277 79 F 4.0495 8.5230 122.9826 61.6679 39.2926 177.1180 80 T 3.7082 8.0806 115.2716 66.8706 68.2565 176.5609 81 Q 3.9389 7.6670 119.7443 58.6301 28.6885 178.4180 82 L 3.9120 7.7146 121.5938 57.7952 42.0468 179.2504 83 V 3.2337 7.5920 118.5755 65.8374 31.4078 177.6134 84 S 4.0830 7.9413 113.1077 61.7663 62.1612 176.4945 85 S 4.1904 8.1820 116.5319 61.4881 62.4481 176.5738 86 S 4.2090 7.9335 118.2974 61.2436 62.7743 176.3227 87 L 4.2257 8.2052 121.8280 58.0923 41.4132 178.8878 88 Y 3.7780 8.2469 119.4042 60.4254 38.4210 177.5600 89 E 3.9882 7.9821 118.9520 57.9835 29.7737 177.2680 90 R 4.3872 7.5484 117.9466 56.0482 30.8376 178.0549 91 R 3.1872 7.1636 121.2701 59.0022 29.7908 177.2777 92 F 4.8779 7.1175 113.6923 56.8091 39.8910 176.0545 93 G 4.1409 7.5384 103.3737 44.6364 0.0000 172.3355 94 P 4.0696 0.0000 0.0000 62.3566 32.6253 176.0609 95 Y 4.1721 7.7422 116.9771 57.7859 38.9207 176.8070 96 F 4.7978 8.8389 124.6260 56.4334 37.5416 174.6937 97 V 5.0680 7.8414 113.9644 59.6438 36.6843 176.1507 98 G 4.1607 9.1065 108.8074 43.8153 0.0000 170.5748 99 P 5.0587 0.0000 0.0000 62.8191 33.0705 175.8536 100 V 4.4534 8.8759 121.5198 61.6823 35.0066 173.6093 101 V 5.0793 8.6096 127.4229 61.3452 33.5831 174.5544 102 A 4.7580 9.4526 128.4819 49.7841 22.9008 175.5652 103 G 4.2751 7.7530 107.9108 46.7127 0.0000 171.6648 104 I 4.6631 8.0507 120.0016 58.9395 39.8937 175.6469 105 N 5.0068 8.7697 121.3766 53.4918 38.7663 174.3720 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 -8 S 8.33 4.24 0.00 3.84 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 -7 D 7.58 5.35 0.00 2.74 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 -6 P 0.00 4.09 0.00 1.21 1.53 0.00 3.22 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.61 0.00 -5 S 8.14 5.13 0.00 4.05 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 -4 S 8.32 4.75 0.00 3.79 3.79 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 -3 I 7.78 4.31 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.57 0.88 0.00 0.00 -2 N 7.56 5.13 0.00 2.75 2.73 0.00 0.00 7.55 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 -1 G 7.87 3.99 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 0.00 0.00 0.00 -7 G 7.57 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 -6 I 9.23 3.84 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 1.41 0.97 0.91 0.00 0.00 -5 V 7.86 4.78 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 0.53 0.00 0.00 0.93 0.00 0.00 -4 V 8.04 4.40 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 0.93 0.00 0.00 0.93 0.00 0.00 -3 A 8.02 4.46 1.30 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 -2 M 7.44 4.87 0.00 2.03 1.99 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 2.63 2.48 0.00 -1 T 7.69 4.38 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 8 G 8.60 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 9 K 8.68 4.04 0.00 1.70 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.71 4.48 0.00 2.84 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 11 C 7.47 4.71 0.00 3.02 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 12 V 7.89 5.01 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 0.69 0.00 0.00 0.89 0.00 0.00 13 A 8.43 4.69 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 14 I 8.16 5.29 1.82 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 0.76 0.00 0.00 15 A 8.48 4.97 1.15 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 16 C 8.26 5.37 0.00 3.08 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 17 D 8.55 4.73 0.00 2.73 2.76 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 18 L 8.20 5.06 0.00 1.64 1.77 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.24 4.67 0.00 1.85 2.00 0.00 3.23 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 20 L 8.69 4.35 0.00 1.56 1.37 0.74 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.45 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 4.60 0.00 3.79 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 23 Q 8.63 3.66 0.00 2.24 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 24 S 8.92 4.19 0.00 3.97 3.99 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 25 L 7.84 4.15 0.00 1.77 1.74 0.92 0.96 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 26 G 8.57 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 27 V 8.55 4.22 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 0.78 0.00 0.00 0.97 0.00 0.00 28 S 7.70 4.68 0.00 3.86 3.64 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 29 N 8.84 5.12 0.00 2.86 2.86 0.00 0.00 5.88 7.13 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 30 K 7.99 4.59 0.00 1.69 1.81 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.47 4.54 0.00 3.20 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 32 E 8.18 4.09 0.00 1.58 1.61 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 2.22 2.23 0.00 33 K 8.40 4.28 0.00 1.63 1.97 0.00 1.77 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.59 7.81 34 I 6.98 4.73 1.73 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 0.79 1.01 0.00 0.00 35 F 9.19 4.98 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.46 5.05 0.00 2.02 1.78 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.95 4.73 0.00 2.69 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 39 G 8.15 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 40 H 8.91 4.70 0.00 3.34 3.40 0.00 5.52 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.23 4.23 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 0.76 0.00 0.00 0.69 0.00 0.00 42 F 9.42 5.09 0.00 3.13 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 43 L 9.52 5.34 0.00 2.10 1.84 1.18 1.22 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 44 G 9.50 4.57 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 0.00 0.00 0.00 45 I 8.78 5.13 2.12 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 1.04 0.00 0.00 46 T 8.43 4.46 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 1.28 0.00 0.00 47 G 8.75 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 48 L 8.97 4.14 0.00 1.99 1.77 0.99 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.95 4.17 1.09 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 50 T 8.00 3.82 4.28 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 1.29 0.00 0.00 51 D 8.15 4.37 0.00 3.05 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 52 V 7.97 3.66 2.56 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 1.36 0.00 0.00 1.15 0.00 0.00 53 T 8.35 3.83 4.46 0.00 0.00 0.00 0.00 0.00 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 54 T 7.94 3.75 4.17 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 0.00 0.00 0.00 1.02 0.00 0.00 55 L 8.09 3.33 0.00 1.50 1.50 0.87 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.66 4.29 0.00 1.50 2.41 0.00 0.00 6.83 7.72 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 57 E 7.94 3.94 0.00 2.11 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 2.31 2.41 0.00 58 M 7.91 3.73 0.00 1.50 1.64 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.07 0.00 59 F 7.96 4.38 0.00 2.91 2.56 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 60 R 8.17 3.89 0.00 2.21 2.17 0.00 3.17 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 61 Y 7.97 4.11 0.00 3.16 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 62 K 8.65 4.30 0.00 1.99 1.99 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.56 1.64 7.81 63 T 8.35 4.11 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 0.95 0.00 0.00 64 N 8.38 4.34 0.00 2.91 2.87 0.00 0.00 6.84 6.25 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 65 L 7.77 4.02 0.00 1.74 1.75 0.99 1.12 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 66 Y 8.16 3.99 0.00 3.20 3.14 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 67 K 8.16 4.56 0.00 2.18 1.95 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.59 7.81 68 L 7.78 3.99 0.00 1.84 1.70 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.72 4.17 0.00 1.60 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.61 7.81 70 E 8.44 3.90 0.00 1.62 1.72 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 1.62 1.47 0.00 71 E 8.31 4.30 0.00 2.10 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 0.00 2.22 2.19 0.00 72 R 7.14 4.53 0.00 2.07 2.01 0.00 2.83 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 73 A 8.37 4.49 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 74 I 8.08 3.70 1.17 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.13 0.64 0.00 0.00 75 E 8.22 4.63 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 2.40 2.38 0.00 76 P 0.00 4.35 0.00 2.18 2.15 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 77 E 8.22 3.98 0.00 2.07 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 0.00 2.42 2.49 0.00 78 T 7.82 3.89 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 1.22 0.00 0.00 79 F 8.52 4.05 0.00 2.97 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 80 T 8.08 3.71 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 81 Q 7.67 3.94 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 82 L 7.71 3.91 0.00 1.66 1.49 0.97 0.69 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 83 V 7.59 3.23 1.84 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 0.82 0.00 0.00 -0.49 0.00 0.00 84 S 7.94 4.08 0.00 3.96 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 85 S 8.18 4.19 0.00 4.12 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 86 S 7.93 4.21 0.00 4.24 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 87 L 8.21 4.23 0.00 1.92 1.76 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.25 3.78 0.00 3.14 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 89 E 7.98 3.99 0.00 2.11 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 0.00 2.27 2.33 0.00 90 R 7.55 4.39 0.00 1.69 1.64 0.00 2.93 0.00 0.00 2.83 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.09 0.00 91 R 7.16 3.19 0.00 0.67 1.02 0.00 2.67 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.12 4.88 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 93 G 7.54 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 0.00 0.00 0.00 94 P 0.00 4.07 0.00 1.91 1.82 0.00 3.57 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.84 0.00 95 Y 7.74 4.17 0.00 2.90 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 96 F 8.84 4.80 0.00 3.10 3.03 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 97 V 7.84 5.07 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 0.79 0.00 0.00 1.02 0.00 0.00 98 G 9.11 4.16 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 0.00 99 P 0.00 5.06 0.00 2.00 2.09 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 100 V 8.88 4.45 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 0.84 0.00 0.00 0.98 0.00 0.00 101 V 8.61 5.08 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 0.97 0.00 0.00 1.07 0.00 0.00 102 A 9.45 4.76 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 0.00 103 G 7.75 4.28 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 0.00 104 I 8.05 4.66 1.91 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 1.31 0.74 0.93 0.00 0.00 105 N 8.77 5.01 0.00 2.71 2.73 0.00 0.00 7.19 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 * Residues marked with a * may have inaccurate shift predictions.