NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 I 4.0423 7.8676 114.2446 59.9560 39.7783 175.2927 12 R 4.0221 7.4190 118.6454 56.9753 29.9891 175.8516 13 G 4.1769 8.7230 109.9362 46.3734 0.0000 176.3507 14 T 4.3214 7.7134 109.4631 63.2244 69.7354 176.7803 15 I 3.6296 7.7667 121.4492 64.0440 37.7002 177.5801 16 D 4.8512 8.3322 118.3621 56.1716 40.7494 177.6619 17 G 4.0440 7.5159 103.7209 43.7828 0.0000 173.4111 18 M 4.3173 7.2747 120.1675 54.5569 32.8750 177.2310 19 G 3.9690 7.9076 107.1914 44.0857 0.0000 175.2654 20 T 4.0652 8.4815 116.5314 66.7607 68.2403 176.6846 21 A 4.0610 8.0027 120.5796 55.3771 18.4911 179.0889 22 E 4.1089 8.1868 116.5926 59.2768 29.5170 179.1408 23 F 4.4545 8.5126 121.0280 61.5623 39.2376 177.0108 24 D 4.2215 8.7747 118.3607 56.3228 40.3499 177.4318 25 A 4.4053 7.1785 119.1159 50.9135 19.3065 177.2722 26 L 4.0137 7.1281 120.0071 54.1419 42.1281 176.5307 27 P 4.1758 0.0000 0.0000 64.2850 31.6116 176.1864 28 V 4.5034 6.8630 111.6547 59.0968 35.2774 175.5947 29 G 3.8949 9.3934 110.3440 45.6172 0.0000 172.6025 30 A 5.4265 9.3831 126.1118 50.1594 22.4972 174.7852 31 I 5.0045 8.7698 123.3637 59.5794 40.7561 174.3063 32 Q 4.3838 9.0837 129.0212 54.3253 30.7619 174.7684 33 V 5.0403 8.5850 119.2166 59.7968 36.4728 174.9753 34 D 5.3784 7.9818 121.2072 51.2632 41.6775 177.2548 35 G 3.8119 8.6313 107.1224 48.4723 0.0000 174.5968 36 S 4.5479 8.4643 112.7660 58.2105 63.7819 175.1226 37 G 4.1722 8.6435 110.8107 45.3437 0.0000 173.4975 38 V 4.1817 7.7816 120.1435 62.3961 32.5053 174.7815 39 I 4.3604 8.5417 128.3649 61.9116 37.4043 176.0809 40 H 4.6425 9.3342 124.3841 56.5891 30.9552 175.4604 41 R 4.8898 7.7117 115.3278 54.7224 34.6590 174.2774 42 Y 5.3175 8.9192 123.8364 56.7201 41.4360 174.0889 43 N 4.5533 8.3892 124.6850 51.8167 39.1737 176.4270 44 R 4.4603 8.4311 120.1367 59.3676 28.5944 178.6869 45 T 3.8135 7.1912 112.6828 66.5459 68.2385 176.1486 46 E 4.1535 7.9941 121.0341 58.9638 29.7163 178.6468 47 S 4.8217 7.6947 115.4343 60.5407 62.9992 176.5166 48 R 4.0378 7.9992 121.1082 58.2650 29.7996 177.8440 49 L 4.3153 7.0561 119.5443 57.1842 42.9098 178.3342 50 S 4.3715 8.2060 114.3031 60.9327 63.2071 176.0706 51 G 4.0713 8.3847 109.6017 44.8311 0.0000 173.9801 52 R 4.2181 7.5749 117.9576 55.6268 31.2118 175.9446 53 I 4.1726 8.0379 122.2505 59.9600 37.8991 175.4309 54 P 4.1962 0.0000 0.0000 65.5832 31.3445 177.5861 55 E 3.9440 8.2895 118.7556 57.8992 29.7888 177.3306 56 R 4.5049 7.8289 114.7150 56.8835 31.7002 182.6932 57 V 3.9747 7.0234 108.2735 62.7380 32.3170 176.2841 58 I 4.0912 7.4462 121.3788 62.4601 37.2806 175.9208 59 G 3.9697 8.8312 114.3184 45.1872 0.0000 173.8454 60 R 4.3906 7.5010 118.1823 54.6276 31.7547 175.0631 61 N 4.7990 8.3861 119.1441 53.0399 39.8529 175.5744 62 F 3.8584 9.0525 128.6673 61.3722 39.7399 177.3371 63 F 4.1553 7.9959 117.5808 59.1461 38.8991 177.2073 64 T 4.3023 8.0438 108.5566 61.9296 70.2084 174.7409 65 E 4.3602 7.9379 119.8386 57.9733 30.7331 177.6721 66 V 3.7830 7.4311 109.6928 62.7539 33.0538 176.5877 67 A 4.4382 7.1957 122.1029 49.6618 18.6071 174.9221 68 P 4.7139 0.0000 0.0000 63.9603 32.1302 178.8881 69 C 4.3806 7.8989 112.7815 59.8419 30.0682 173.9636 70 T 3.7937 7.5165 110.2938 61.8072 69.2684 174.4121 71 N 4.9223 7.8456 123.2074 51.5056 37.6065 174.2305 72 I 4.7534 7.0075 114.2972 57.5977 42.9530 174.1290 73 P 4.1963 0.0000 0.0000 65.9991 30.8827 178.7728 74 A 3.9467 7.9861 118.0889 54.5586 18.4777 176.8214 75 F 4.3605 8.0087 116.8615 59.8005 40.9511 177.3003 76 S 3.7559 8.6957 114.2428 61.2315 63.0294 177.0327 77 G 3.6600 7.8875 110.3576 46.9433 0.0000 175.6275 78 R 3.8925 7.7770 119.7367 58.8081 30.4336 178.1089 79 F 4.2847 7.9523 120.8728 61.5691 39.3955 176.9062 80 M 3.7982 7.8661 118.3014 58.7249 31.4798 178.6231 81 D 4.4364 7.9631 118.3302 56.8032 40.4018 178.8395 82 G 3.5398 7.6853 105.9158 46.2436 0.0000 176.3790 83 V 3.3468 7.0084 113.4253 64.0273 31.7451 177.3603 84 T 4.0068 7.4756 111.7276 63.5546 67.3983 174.8668 85 S 4.4648 7.4578 113.9512 57.8174 63.9875 175.3626 86 G 3.9946 7.8844 108.6029 45.5137 0.0000 173.4215 87 T 4.5083 7.4732 116.3454 61.5170 71.0366 172.2926 88 L 4.8797 8.5167 128.6925 53.4247 44.5297 174.9025 89 D 5.2982 8.7375 126.0103 53.1734 42.4311 173.2057 90 A 4.9842 9.1768 125.8035 49.7624 22.9213 175.0327 91 R 5.0058 8.6805 121.0668 55.2669 32.9035 173.8874 92 F 5.0441 8.7669 120.6242 56.0105 42.2041 172.9582 93 D 5.3935 8.9789 119.2708 53.0504 42.0624 175.7170 94 F 5.3075 9.0476 126.3533 56.6169 42.9691 174.2281 95 V 4.9419 6.4376 119.8551 57.7450 33.8244 172.6512 *102 P 4.0147 0.0000 0.0000 62.6649 31.3872 176.0143 103 V 4.2057 8.0289 123.0663 59.3125 32.6299 174.7531 104 R 4.3653 8.5231 126.0046 55.7900 30.7300 175.6438 105 V 4.8033 8.6932 118.1987 59.7031 36.0708 174.4564 106 Q 4.9029 9.0436 123.0359 54.5226 30.8304 174.5910 107 I 4.7799 8.6206 125.4697 59.4195 39.9177 174.7918 108 R 5.0180 8.8421 125.9748 54.9163 33.3281 173.5086 109 M 5.4199 9.1542 126.5544 53.7239 35.1499 174.9931 110 Q 5.7595 8.9404 119.7995 55.5390 32.9425 173.1246 111 N 5.0352 8.8513 116.9103 53.1520 39.4933 175.5022 112 A 4.7145 8.2246 125.3387 51.1100 19.9038 177.6766 113 G 3.7344 9.4938 107.3132 47.2055 0.0000 174.6503 114 V 4.2426 7.3395 112.8850 58.8252 32.6915 174.1426 115 P 4.1607 0.0000 0.0000 63.8104 31.8296 175.8409 116 D 4.2639 8.5715 118.8825 55.1641 39.9009 172.8080 117 R 4.7667 6.7007 110.9611 54.1767 34.5427 174.2453 118 Y 5.0612 9.1359 120.0477 56.0358 42.4935 174.3255 119 W 5.0475 9.2236 122.7004 55.1801 32.0365 175.3483 120 I 4.7632 8.3994 123.8979 59.6607 39.9224 174.2800 121 F 5.5697 9.3485 127.2240 55.7766 41.4849 175.0857 122 V 4.8373 8.9391 123.8527 61.1175 33.8556 174.1297 123 R 4.7973 9.0626 128.0596 55.5921 33.3794 175.7160 124 K 4.1870 8.8394 123.2261 56.7743 31.5666 176.1316 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 11 I 7.87 4.04 1.67 0.00 0.00 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 1.10 0.39 0.75 0.00 0.00 12 R 7.42 4.02 0.00 2.08 2.08 0.00 3.19 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 13 G 8.72 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 0.00 0.00 0.00 0.00 14 T 7.71 4.32 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 1.19 0.00 0.00 15 I 7.77 3.63 1.75 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 1.07 1.19 0.49 0.00 0.00 16 D 8.33 4.85 0.00 2.78 2.82 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 0.00 0.00 0.00 17 G 7.52 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 18 M 7.27 4.32 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.50 0.00 19 G 7.91 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 20 T 8.48 4.07 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 1.39 0.00 0.00 21 A 8.00 4.06 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 22 E 8.19 4.11 0.00 2.28 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 2.42 2.44 0.00 23 F 8.51 4.45 0.00 3.19 3.33 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 24 D 8.77 4.22 0.00 2.76 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 25 A 7.18 4.41 1.31 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 26 L 7.13 4.01 0.00 1.60 1.48 0.98 0.87 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 27 P 0.00 4.18 0.00 2.11 2.11 0.00 3.60 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 1.88 1.90 0.00 28 V 6.86 4.50 2.17 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 0.59 0.00 0.00 0.73 0.00 0.00 29 G 9.39 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 0.00 0.00 0.00 30 A 9.38 5.43 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 31 I 8.77 5.00 1.49 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.69 0.70 0.00 0.00 32 Q 9.08 4.38 0.00 0.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.63 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 33 V 8.58 5.04 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 0.51 0.00 0.00 0.97 0.00 0.00 34 D 7.98 5.38 0.00 3.19 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 35 G 8.63 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 0.00 0.00 0.00 36 S 8.46 4.55 0.00 4.10 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 37 G 8.64 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 0.00 0.00 0.00 0.00 38 V 7.78 4.18 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 1.00 0.00 0.00 0.98 0.00 0.00 39 I 8.54 4.36 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 1.03 0.00 0.00 40 H 9.33 4.64 0.00 2.85 3.25 0.00 5.60 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 41 R 7.71 4.89 0.00 1.65 1.81 0.00 2.97 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 42 Y 8.92 5.32 0.00 2.98 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 43 N 8.39 4.55 0.00 2.21 1.42 0.00 0.00 6.18 6.94 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 44 R 8.43 4.46 0.00 1.93 1.91 0.00 3.14 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 45 T 7.19 3.81 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 1.15 0.00 0.00 46 E 7.99 4.15 0.00 1.84 1.40 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 1.73 2.03 0.00 47 S 7.69 4.82 0.00 4.38 4.43 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 4.04 0.00 1.99 2.03 0.00 3.31 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 49 L 7.06 4.32 0.00 1.73 1.94 0.94 1.05 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 50 S 8.21 4.37 0.00 4.23 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 51 G 8.38 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 52 R 7.57 4.22 0.00 1.82 1.77 0.00 3.26 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 53 I 8.04 4.17 1.85 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 1.43 0.95 0.95 0.00 0.00 54 P 0.00 4.20 0.00 2.27 2.50 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 55 E 8.29 3.94 0.00 1.94 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 2.29 2.32 0.00 56 R 7.83 4.50 0.00 1.86 1.79 0.00 3.31 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 57 V 7.02 3.97 1.75 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 0.51 0.00 0.00 0.25 0.00 0.00 58 I 7.45 4.09 1.85 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 1.56 0.76 0.92 0.00 0.00 59 G 8.83 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 60 R 7.50 4.39 0.00 1.99 1.79 0.00 3.47 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 61 N 8.39 4.80 0.00 2.74 2.69 0.00 0.00 6.60 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 62 F 9.05 3.86 0.00 2.87 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.00 4.16 0.00 3.21 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 64 T 8.04 4.30 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 1.25 0.00 0.00 65 E 7.94 4.36 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 2.23 2.22 0.00 66 V 7.43 3.78 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 0.58 0.00 0.00 0.80 0.00 0.00 67 A 7.20 4.44 0.25 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 68 P 0.00 4.71 0.00 2.18 2.40 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.85 0.00 69 C 7.90 4.38 0.00 3.18 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 70 T 7.52 3.79 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 0.43 0.00 0.00 71 N 7.85 4.92 0.00 2.97 2.79 0.00 0.00 6.90 8.03 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 72 I 7.01 4.75 1.92 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.62 0.96 0.00 0.00 73 P 0.00 4.20 0.00 2.15 2.13 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 74 A 7.99 3.95 1.24 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 0.00 0.00 0.00 75 F 8.01 4.36 0.00 2.85 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 76 S 8.70 3.76 0.00 3.64 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 77 G 7.89 3.66 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 0.00 0.00 0.00 78 R 7.78 3.89 0.00 1.55 2.00 0.00 3.20 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.74 0.00 79 F 7.95 4.28 0.00 3.12 2.98 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 0.00 0.00 0.00 0.00 80 M 7.87 3.80 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 81 D 7.96 4.44 0.00 2.59 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 82 G 7.69 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.01 3.35 1.57 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 -0.81 0.00 0.00 0.63 0.00 0.00 84 T 7.48 4.01 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 1.19 0.00 0.00 85 S 7.46 4.46 0.00 3.88 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 86 G 7.88 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 87 T 7.47 4.51 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 1.24 0.00 0.00 88 L 8.52 4.88 0.00 1.70 1.66 0.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.74 5.30 0.00 2.73 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 90 A 9.18 4.98 1.40 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 0.00 0.00 91 R 8.68 5.01 0.00 1.83 1.84 0.00 3.26 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 92 F 8.77 5.04 0.00 3.12 3.05 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 93 D 8.98 5.39 0.00 2.67 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 94 F 9.05 5.31 0.00 3.51 3.18 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 95 V 6.44 4.94 1.91 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 0.60 0.00 0.00 0.80 0.00 0.00 *102 P 0.00 4.01 0.00 2.20 2.14 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 103 V 8.03 4.21 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 0.80 0.00 0.00 0.94 0.00 0.00 104 R 8.52 4.37 0.00 1.79 1.89 0.00 3.20 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 105 V 8.69 4.80 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 0.80 0.00 0.00 1.18 0.00 0.00 106 Q 9.04 4.90 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 107 I 8.62 4.78 0.56 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.80 0.26 0.00 0.00 108 R 8.84 5.02 0.00 1.94 1.93 0.00 3.38 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 109 M 9.15 5.42 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 110 Q 8.94 5.76 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.01 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 111 N 8.85 5.04 0.00 2.73 2.82 0.00 0.00 6.86 7.35 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 0.00 112 A 8.22 4.71 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 0.00 113 G 9.49 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 0.00 0.00 0.00 114 V 7.34 4.24 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 0.74 0.00 0.00 0.83 0.00 0.00 115 P 0.00 4.16 0.00 2.12 1.92 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 116 D 8.57 4.26 0.00 2.87 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 0.00 117 R 6.70 4.77 0.00 1.51 1.32 0.00 3.11 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.35 0.00 118 Y 9.14 5.06 0.00 3.15 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 0.00 119 W 9.22 5.05 0.00 3.03 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 0.00 0.00 0.00 120 I 8.40 4.76 1.60 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 0.90 0.00 0.00 121 F 9.35 5.57 0.00 2.96 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 0.00 122 V 8.94 4.84 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 0.94 0.00 0.00 1.08 0.00 0.00 123 R 9.06 4.80 0.00 1.88 1.70 0.00 3.07 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 124 K 8.84 4.19 0.00 1.91 2.18 0.00 1.84 0.00 0.00 1.94 0.00 0.00 2.98 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.