NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7456 8.2085 109.7402 45.3150 0.0000 172.7350 *23 A 4.1425 8.1013 121.9692 51.8991 19.6667 176.3301 24 S 4.6934 8.3236 114.7722 56.9733 63.7583 174.3395 25 I 4.0229 8.1722 124.8687 62.2555 38.1617 176.2274 26 V 3.3980 7.7486 120.9805 61.9999 31.5806 175.9957 27 G 3.6745 7.6151 114.2870 45.1417 0.0000 170.5350 28 S 4.5723 7.3153 115.3886 56.5655 64.8549 173.6066 29 W 5.0542 8.7920 125.3657 54.9708 31.4008 175.4338 30 V 5.2824 8.9219 117.2840 59.8217 36.2597 174.0433 31 E 5.1501 9.4148 119.2341 53.9856 33.3599 173.1878 32 P 4.8234 0.0000 0.0000 62.7504 32.6549 176.3763 33 V 3.9563 8.6543 123.4952 61.4072 32.4292 173.9087 34 P 4.4169 0.0000 0.0000 64.2909 31.5339 176.3784 35 G 3.9585 9.3445 111.9041 44.7871 0.0000 172.8719 36 L 4.5456 7.8189 121.4069 53.0267 42.8206 176.4051 37 E 4.0216 8.5284 120.0566 56.9336 30.2128 175.2536 38 G 4.0462 8.8584 109.6397 45.1602 0.0000 173.1497 39 Q 4.7703 7.5309 118.0600 54.2552 31.2639 175.1730 40 V 5.1603 8.3161 114.8390 59.7681 35.7035 174.6700 41 Q 4.7163 9.3722 119.5566 54.5966 32.3527 175.2471 42 G 3.9928 7.7885 106.5023 46.3957 0.0000 171.2076 43 I 4.8699 7.4227 121.1818 59.5855 41.5530 175.5292 44 K 4.4671 8.8249 128.2659 54.9318 35.2006 174.4537 *46 E 4.5421 8.3906 119.0403 55.7822 31.1934 175.8720 47 E 4.3513 8.8582 121.0186 58.4766 29.9696 177.8600 48 G 3.8731 8.7434 111.1009 44.9266 0.0000 174.4618 49 G 3.1737 8.2041 108.2465 44.4149 0.0000 173.3676 50 V 4.2923 7.5159 119.6306 62.7762 32.1382 174.9632 51 A 5.4425 8.6800 129.0693 50.4112 21.9763 175.3707 52 S 5.0188 9.0705 113.9969 56.7251 67.0844 173.5302 53 S 4.7987 8.8942 117.7100 58.7020 63.7900 173.9170 54 V 4.0077 8.9754 124.9638 61.6479 33.0098 172.6307 55 N 4.1068 8.8951 129.3939 53.7243 36.7825 173.0883 *57 A 4.4697 8.4029 126.2937 52.3658 20.7515 178.0702 58 T 4.1540 7.8129 111.7977 65.9855 69.8518 174.7298 59 L 4.8642 7.8978 121.0105 53.5459 43.2100 177.0687 60 V 4.3241 8.7135 124.6839 60.9910 32.5519 174.1711 61 Y 4.4565 8.9634 124.7014 58.1313 37.9398 175.6129 62 E 4.8138 9.5353 119.5849 57.4796 33.6193 175.7310 63 S 5.1774 7.9247 111.3005 56.8659 66.8991 173.3725 64 W 5.8022 8.7324 117.3197 55.0668 31.3528 174.6826 65 K 4.3265 9.2366 119.9248 54.9035 36.5328 174.8118 66 Q 5.1527 8.8205 124.8384 54.4449 31.4822 174.4079 67 E 4.5761 9.1304 126.6093 55.2170 32.3013 176.5387 68 G 3.8544 8.3652 115.8529 47.3535 0.0000 173.4426 69 T 4.4918 8.5483 114.2407 60.7778 68.9818 172.6491 70 K 4.7537 8.1843 124.1046 55.5020 34.1299 174.6992 71 L 5.2105 8.4975 128.4895 53.3692 44.9970 174.6015 72 I 4.8611 9.1065 127.0238 59.5672 40.1758 174.4008 73 L 5.6500 9.3378 127.5189 53.1740 44.8665 175.7595 74 T 4.7715 9.1389 112.6495 59.9868 72.6128 174.1959 75 G 3.6219 6.1935 107.5497 45.5266 0.0000 171.9105 76 K 5.1663 7.7646 117.9345 55.1900 36.6738 175.3949 77 S 5.2473 9.0563 116.2488 56.8155 65.6351 172.7154 78 I 4.6205 8.4898 124.4627 59.7273 38.3771 175.3757 79 G 4.2304 7.9798 115.2756 43.1229 0.0000 172.6799 80 N 4.5325 9.0193 116.4553 56.3397 40.1337 176.7056 81 G 3.8234 8.2968 108.9559 46.7918 0.0000 177.0099 82 Q 4.2415 9.1396 121.8617 54.4936 29.3128 176.3569 83 T 4.7288 8.2675 117.5789 60.9461 68.7941 173.8724 84 I 4.7045 8.6218 127.8510 59.4204 41.1090 174.8999 85 E 4.6812 8.9692 126.6528 56.5259 30.3491 176.0424 86 F 5.1125 8.5906 116.6839 55.3637 42.1907 173.4781 87 V 4.9208 8.5718 118.6438 61.4459 34.0832 174.1355 88 D 5.3610 9.7802 127.9756 52.7529 44.0761 175.2257 89 T 5.4087 8.2561 110.8068 58.8640 72.5129 172.7005 *91 D 4.5425 8.3774 120.4818 54.2874 42.7210 174.8751 92 I 4.2057 8.7447 124.8661 61.1292 36.9532 175.8589 93 K 4.3519 9.0522 127.6864 57.6880 33.4957 177.3963 94 R 4.6266 7.5723 118.8718 54.8000 33.8564 174.0751 95 L 4.8270 8.3593 127.9509 54.4806 44.2455 174.2795 96 T 4.7582 9.1065 116.8572 59.4254 71.9167 174.4422 97 A 3.8678 8.7282 122.9931 54.7842 18.4638 177.7394 98 D 5.0684 7.9685 112.9380 53.9897 43.7141 176.1063 99 S 5.4061 8.7105 114.4552 56.7016 67.8412 172.9761 100 L 4.7125 8.8872 124.2739 53.3572 45.1515 174.9448 101 V 4.7486 8.7039 126.7098 61.0303 34.0953 174.2366 102 L 5.2430 8.9059 127.3584 52.8994 45.6144 175.0155 103 D 4.8486 9.0281 121.4371 52.7926 43.6143 175.2048 104 N 4.6087 9.1318 128.1032 53.3614 38.1536 174.4402 105 Q 3.2948 9.5511 126.5248 56.1503 26.3089 173.2067 106 G 4.1793 8.8162 104.8342 46.6268 0.0000 174.5324 *108 E 4.2974 7.6701 117.0743 56.0644 31.3247 175.6459 109 I 4.4219 8.6771 127.1678 59.3929 40.6614 174.4617 110 R 4.8654 8.3246 125.1654 54.5716 32.2808 174.8456 111 Y 5.2859 9.1964 121.3644 56.2009 41.8643 174.5034 112 A 5.4454 9.1651 123.9187 50.0789 22.1568 175.8069 113 K 3.8427 8.7630 123.1927 55.9551 32.9957 175.9940 114 Q 4.3583 8.4756 129.7717 54.4665 30.0651 175.5234 115 K 4.0661 8.3832 125.1922 56.4796 32.5095 176.2615 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 0 G 8.21 3.75 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 0.00 0.00 0.00 *23 A 8.10 4.14 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 24 S 8.32 4.69 0.00 3.89 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 25 I 8.17 4.02 1.78 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.58 0.52 0.00 0.00 26 V 7.75 3.40 2.10 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 0.81 0.00 0.00 1.17 0.00 0.00 27 G 7.62 3.67 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 28 S 7.32 4.57 0.00 3.71 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.79 5.05 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.92 5.28 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 0.73 0.00 0.00 0.95 0.00 0.00 31 E 9.41 5.15 0.00 1.99 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 0.00 2.56 2.35 0.00 32 P 0.00 4.82 0.00 1.97 2.04 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 33 V 8.65 3.96 2.10 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 0.96 0.00 0.00 0.92 0.00 0.00 34 P 0.00 4.42 0.00 2.08 2.00 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 35 G 9.34 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 0.00 0.00 0.00 36 L 7.82 4.55 0.00 1.71 1.60 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.53 4.02 0.00 1.99 1.74 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 2.23 1.88 0.00 38 G 8.86 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 39 Q 7.53 4.77 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 40 V 8.32 5.16 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 0.76 0.00 0.00 0.94 0.00 0.00 41 Q 9.37 4.72 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 42 G 7.79 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 43 I 7.42 4.87 1.53 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 0.50 0.44 0.63 0.00 0.00 44 K 8.82 4.47 0.00 1.73 1.67 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.31 7.81 *46 E 8.39 4.54 0.00 2.23 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 0.00 2.33 2.43 0.00 47 E 8.86 4.35 0.00 2.03 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 0.00 2.41 2.33 0.00 48 G 8.74 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 49 G 8.20 3.17 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 50 V 7.52 4.29 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 0.91 0.00 0.00 0.96 0.00 0.00 51 A 8.68 5.44 1.43 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 0.00 0.00 52 S 9.07 5.02 0.00 3.90 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 53 S 8.89 4.80 0.00 3.90 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 54 V 8.98 4.01 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 0.99 0.00 0.00 0.88 0.00 0.00 55 N 8.90 4.11 0.00 2.87 2.96 0.00 0.00 7.16 7.96 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 *57 A 8.40 4.47 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 58 T 7.81 4.15 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 1.26 0.00 0.00 59 L 7.90 4.86 0.00 1.64 1.55 1.03 0.66 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 60 V 8.71 4.32 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 1.07 0.00 0.00 0.96 0.00 0.00 61 Y 8.96 4.46 0.00 3.03 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 62 E 9.54 4.81 0.00 1.78 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 2.20 2.34 0.00 63 S 7.92 5.18 0.00 3.93 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 64 W 8.73 5.80 0.00 3.47 3.10 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 65 K 9.24 4.33 0.00 1.68 1.59 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.16 1.22 7.81 66 Q 8.82 5.15 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 67 E 9.13 4.58 0.00 2.04 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 0.00 2.21 2.22 0.00 68 G 8.37 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 69 T 8.55 4.49 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 70 K 8.18 4.75 0.00 1.87 1.88 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.39 7.81 71 L 8.50 5.21 0.00 1.81 1.51 1.15 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.11 4.86 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.97 0.00 0.00 73 L 9.34 5.65 0.00 1.90 1.97 0.95 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 T 9.14 4.77 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 1.20 0.00 0.00 75 G 6.19 3.62 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 0.00 0.00 0.00 76 K 7.76 5.17 0.00 1.76 1.92 0.00 1.25 0.00 0.00 1.81 0.00 0.00 3.22 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.35 7.81 77 S 9.06 5.25 0.00 3.90 4.02 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 78 I 8.49 4.62 1.89 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 1.17 0.63 0.92 0.00 0.00 79 G 7.98 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 0.00 0.00 0.00 0.00 80 N 9.02 4.53 0.00 2.71 2.91 0.00 0.00 6.87 7.65 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 81 G 8.30 3.82 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 0.00 0.00 0.00 82 Q 9.14 4.24 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.54 7.01 0.00 0.00 0.00 0.00 0.00 2.35 1.91 0.00 83 T 8.27 4.73 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 1.21 0.00 0.00 84 I 8.62 4.70 1.92 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 1.24 0.62 0.95 0.00 0.00 85 E 8.97 4.68 0.00 1.82 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 2.26 2.20 0.00 86 F 8.59 5.11 0.00 3.02 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 87 V 8.57 4.92 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 0.90 0.00 0.00 0.93 0.00 0.00 88 D 9.78 5.36 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 5.41 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 1.26 0.00 0.00 *91 D 8.38 4.54 0.00 2.64 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 92 I 8.74 4.21 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.52 0.81 0.00 0.00 93 K 9.05 4.35 0.00 1.54 1.82 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.48 7.81 94 R 7.57 4.63 0.00 1.80 1.64 0.00 3.15 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 95 L 8.36 4.83 0.00 1.50 1.45 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 96 T 9.11 4.76 4.29 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 1.23 0.00 0.00 97 A 8.73 3.87 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 98 D 7.97 5.07 0.00 2.45 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 99 S 8.71 5.41 0.00 3.79 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 0.00 100 L 8.89 4.71 0.00 0.27 0.58 0.47 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.70 4.75 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 0.85 0.00 0.00 0.88 0.00 0.00 102 L 8.91 5.24 0.00 1.49 1.46 0.99 0.47 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 0.00 103 D 9.03 4.85 0.00 2.57 2.49 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 0.00 104 N 9.13 4.61 0.00 2.71 2.72 0.00 0.00 7.26 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 0.00 105 Q 9.55 3.29 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.45 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 106 G 8.82 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 *108 E 7.67 4.30 0.00 1.97 1.86 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 2.11 2.29 0.00 109 I 8.68 4.42 1.57 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.39 0.08 0.00 0.00 110 R 8.32 4.87 0.00 1.57 1.77 0.00 3.24 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 111 Y 9.20 5.29 0.00 2.87 3.01 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 0.00 112 A 9.17 5.45 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 0.00 113 K 8.76 3.84 0.00 1.02 1.49 0.00 0.97 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.10 0.94 7.81 114 Q 8.48 4.36 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.52 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 115 K 8.38 4.07 0.00 1.67 1.58 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.19 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.