NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2987 8.4449 120.2515 56.3207 29.8209 172.9650 13 F 4.4890 8.3027 118.9773 54.8920 39.4251 172.6711 14 E 4.3774 9.3253 126.9221 57.0807 31.7704 176.0589 15 T 5.2561 8.6104 116.5920 62.0637 73.0658 173.0713 16 I 4.1718 8.4898 126.9437 60.7450 37.2809 175.5680 17 E 4.5382 8.2814 124.9884 56.8325 31.2304 176.3189 18 R 4.4650 7.1994 116.1379 55.6110 34.2740 173.7391 19 F 4.1579 8.7006 120.4486 55.9180 41.7498 174.3442 *21 D 4.5647 8.2294 119.4971 54.9314 42.7532 172.9875 22 C 5.7261 8.4172 118.2297 58.6354 34.8253 172.6129 23 R 4.5593 8.5847 118.5708 55.8140 32.9287 173.0037 24 I 4.6950 8.4441 113.7235 59.4222 39.1067 174.9903 25 G 3.1079 8.8353 113.5822 43.1150 0.0000 170.9310 26 R 4.1566 6.5290 119.1410 56.2752 31.1187 175.9109 27 K 4.6522 7.9265 124.6448 57.2725 32.4490 177.3014 28 G 3.9112 9.1753 111.9705 45.4048 0.0000 173.7241 29 A 4.3229 7.2104 124.4004 50.7870 17.1439 176.2267 30 T 4.8049 7.1401 110.9657 60.3436 72.9395 175.5645 31 G 3.7358 8.8709 108.4301 44.2046 0.0000 173.2801 32 A 3.8505 8.7590 120.2436 55.7028 18.1877 180.0195 33 T 3.9972 7.8947 103.1833 63.6195 68.7247 174.5701 34 T 4.4764 7.7606 111.9467 61.6234 69.4184 175.4059 35 T 4.0814 7.5290 114.2265 61.5774 70.7627 175.0231 36 I 3.5870 7.5474 123.6442 64.6234 37.7278 177.8776 37 Y 4.2586 7.3621 117.5824 59.5483 38.0687 177.5877 38 A 4.0308 7.2077 122.7841 54.9236 18.4667 179.7337 39 V 3.8586 7.8556 118.4041 65.7136 31.3833 178.1380 40 E 4.0076 8.1264 116.9419 58.4929 29.3333 178.3488 41 A 4.4034 7.4997 119.7996 53.6484 19.7390 178.1139 42 D 4.7649 8.8424 114.3807 53.0227 42.1638 177.6055 43 G 3.9453 7.9045 105.6839 45.1969 0.0000 171.9897 44 D 4.6617 8.3002 118.7532 52.1587 41.6593 175.3298 45 P 4.4116 0.0000 0.0000 64.3506 31.8877 176.2194 46 N 4.3170 9.7691 118.0738 54.6099 40.5606 176.2997 47 A 3.8509 6.9861 116.3023 52.7549 20.9643 180.5080 48 G 3.9176 8.4976 107.5878 46.4475 0.0000 171.4989 49 F 4.6283 8.1105 123.3852 57.4671 41.1359 175.0990 50 E 4.1973 7.0188 124.5976 55.7345 32.6905 174.8381 51 K 4.4083 8.0476 116.9161 57.4075 32.5581 176.8795 52 N 4.6662 7.8160 114.7245 53.2956 39.0349 175.4178 53 K 4.5475 7.1559 116.4147 55.4586 35.5402 175.7540 54 E 4.7405 8.2606 120.4336 54.2137 30.6856 171.1811 55 P 4.6412 0.0000 0.0000 60.9075 30.2847 174.3770 56 G 4.7541 8.0180 110.8618 43.9802 0.0000 168.3966 57 E 4.8504 8.8313 125.9506 53.9618 33.5945 174.9315 58 I 4.4107 8.2410 123.4773 60.1659 38.9186 174.7034 59 Q 4.7608 9.2453 128.4820 54.2083 32.6241 174.0868 60 Y 5.3414 9.0337 118.8909 56.1136 41.3478 174.9151 61 L 3.4665 7.9082 126.4135 54.5440 42.3179 175.7910 62 I 3.7548 8.2589 128.5596 59.3594 39.4080 175.0950 63 K 5.0774 7.8641 128.2582 53.8232 33.3722 175.7597 64 W 4.8039 8.4200 127.7423 56.0517 30.8443 175.7948 65 K 3.9530 9.1575 124.8625 57.6717 31.9154 177.3757 66 G 3.7840 9.7234 114.2243 45.0003 0.0000 172.6495 67 W 5.1142 7.5352 116.9397 54.3842 33.0941 175.4030 68 S 4.5583 8.8297 116.6969 58.0678 63.6162 174.7608 69 H 4.3379 8.9916 117.8518 58.7510 27.5805 177.9487 70 I 3.8943 7.9577 112.3221 63.5046 37.5706 176.8030 71 H 4.4107 8.3844 116.7675 55.9320 29.1550 175.1046 72 N 5.1575 8.4363 119.3221 53.2349 39.4563 174.2591 73 T 4.9563 8.5333 112.0834 59.5509 73.2195 172.5205 74 W 4.9605 8.8074 122.8936 56.2606 30.6415 175.5981 75 E 5.1382 9.5023 123.4162 54.9857 33.8650 174.2717 76 T 4.9581 8.5570 116.0692 61.4222 72.8186 175.7845 77 E 4.3951 9.1280 121.5658 59.8672 29.3003 179.1149 78 E 4.0839 8.3256 118.9484 59.5228 29.4809 178.7264 79 T 3.8950 7.9275 109.1046 64.8512 68.6784 175.8267 80 L 4.0731 8.9747 124.9672 57.4944 42.0933 178.9965 81 K 4.0280 9.1986 119.2674 59.7168 31.8685 178.9243 82 Q 3.8138 9.4521 118.2099 59.6098 28.9658 178.7505 83 Q 4.0716 7.7711 116.9376 55.7321 29.2135 175.4547 84 N 4.1481 8.5935 116.4230 54.0909 36.0906 175.1484 85 V 3.9933 7.1613 108.7936 61.6400 32.5736 176.5796 86 R 4.3676 8.9265 121.6303 56.1189 31.4080 173.5695 87 G 3.5299 8.4719 111.8652 45.6122 0.0000 173.9132 *89 K 4.1756 8.3824 127.0841 55.7736 33.7514 177.6965 90 K 4.1722 7.6247 115.6321 58.8067 32.5978 178.1703 91 L 3.2537 7.7490 123.0475 57.3672 41.6012 177.7344 92 D 4.2528 7.8454 119.1815 56.5399 37.9128 178.4776 93 N 4.2820 7.8095 117.8345 56.2654 38.5036 176.4954 94 Y 4.2830 7.8042 121.0083 59.6643 38.4973 177.3996 95 K 4.2603 6.9502 116.0160 56.2780 31.4979 177.4066 96 K 4.4871 7.7592 117.7391 57.3993 38.2226 176.3431 97 K 4.0204 7.2059 123.3977 56.5131 31.9932 176.1633 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 12 E 8.44 4.30 0.00 2.04 2.06 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 2.28 2.33 0.00 13 F 8.30 4.49 0.00 2.92 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 14 E 9.33 4.38 0.00 1.74 1.73 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 2.27 1.89 0.00 15 T 8.61 5.26 4.40 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 1.32 0.00 0.00 16 I 8.49 4.17 1.87 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 0.54 0.00 0.00 17 E 8.28 4.54 0.00 1.97 2.06 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 2.30 2.21 0.00 18 R 7.20 4.47 0.00 1.62 1.66 0.00 3.07 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 19 F 8.70 4.16 0.00 2.29 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 0.00 0.00 0.00 *21 D 8.23 4.56 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.42 5.73 0.00 3.55 3.04 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 23 R 8.58 4.56 0.00 1.72 1.89 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.98 0.00 24 I 8.44 4.70 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.92 0.00 0.00 25 G 8.84 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 0.00 0.00 0.00 26 R 6.53 4.16 0.00 1.82 1.59 0.00 3.31 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 27 K 7.93 4.65 0.00 1.78 1.72 0.00 1.82 0.00 0.00 0.77 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.47 7.81 28 G 9.18 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 29 A 7.21 4.32 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 30 T 7.14 4.80 4.39 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 0.00 0.00 0.00 1.22 0.00 0.00 31 G 8.87 3.74 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 0.00 0.00 0.00 32 A 8.76 3.85 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 33 T 7.89 4.00 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 1.18 0.00 0.00 34 T 7.76 4.48 4.51 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 1.29 0.00 0.00 35 T 7.53 4.08 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 0.97 0.00 0.00 36 I 7.55 3.59 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 1.02 0.00 0.00 37 Y 7.36 4.26 0.00 3.26 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 38 A 7.21 4.03 1.23 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 39 V 7.86 3.86 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 1.41 0.00 0.00 0.98 0.00 0.00 40 E 8.13 4.01 0.00 2.06 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 2.37 2.65 0.00 41 A 7.50 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.84 4.76 0.00 2.59 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 43 G 7.90 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 0.00 0.00 0.00 44 D 8.30 4.66 0.00 2.67 2.53 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 45 P 0.00 4.41 0.00 2.16 2.12 0.00 3.76 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 1.92 1.91 0.00 46 N 9.77 4.32 0.00 2.57 2.74 0.00 0.00 7.14 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 47 A 6.99 3.85 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 48 G 8.50 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 0.00 0.00 0.00 49 F 8.11 4.63 0.00 3.17 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 50 E 7.02 4.20 0.00 1.67 1.60 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 2.09 2.20 0.00 51 K 8.05 4.41 0.00 1.60 1.72 0.00 1.45 0.00 0.00 1.48 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.46 7.81 52 N 7.82 4.67 0.00 2.61 2.77 0.00 0.00 6.94 7.61 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 53 K 7.16 4.55 0.00 1.85 1.70 0.00 1.91 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.10 1.29 7.81 54 E 8.26 4.74 0.00 2.07 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 2.38 2.56 0.00 55 P 0.00 4.64 0.00 2.31 2.15 0.00 3.76 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 2.22 2.14 0.00 56 G 8.02 4.75 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 57 E 8.83 4.85 0.00 1.78 1.73 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 2.18 2.15 0.00 58 I 8.24 4.41 1.83 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 0.90 0.58 0.89 0.00 0.00 59 Q 9.25 4.76 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.53 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 60 Y 9.03 5.34 0.00 2.74 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 61 L 7.91 3.47 0.00 0.27 0.91 -0.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.26 3.75 1.06 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.27 -0.95 0.00 0.00 63 K 7.86 5.08 0.00 1.59 1.55 0.00 1.62 0.00 0.00 1.10 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.17 1.14 7.81 64 W 8.42 4.80 0.00 3.54 3.30 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 65 K 9.16 3.95 0.00 1.79 2.02 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.42 7.81 66 G 9.72 3.78 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 0.00 0.00 0.00 67 W 7.54 5.11 0.00 3.42 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 68 S 8.83 4.56 0.00 4.13 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 69 H 8.99 4.34 0.00 3.23 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.96 3.89 2.05 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.99 0.00 0.00 71 H 8.38 4.41 0.00 3.49 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.44 5.16 0.00 2.63 2.62 0.00 0.00 6.70 6.33 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 73 T 8.53 4.96 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 1.29 0.00 0.00 74 W 8.81 4.96 0.00 3.28 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 75 E 9.50 5.14 0.00 1.91 1.95 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 2.40 2.76 0.00 76 T 8.56 4.96 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 77 E 9.13 4.40 0.00 2.12 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 2.57 2.64 0.00 78 E 8.33 4.08 0.00 2.03 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 2.40 2.34 0.00 79 T 7.93 3.89 4.48 0.00 0.00 0.00 0.00 0.00 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 80 L 8.97 4.07 0.00 2.05 1.82 1.10 0.79 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 81 K 9.20 4.03 0.00 1.94 1.86 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.61 7.81 82 Q 9.45 3.81 0.00 2.58 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 83 Q 7.77 4.07 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.36 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 84 N 8.59 4.15 0.00 2.25 2.20 0.00 0.00 7.00 8.32 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 85 V 7.16 3.99 2.39 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 0.92 0.00 0.00 1.12 0.00 0.00 86 R 8.93 4.37 0.00 1.97 1.98 0.00 3.44 0.00 0.00 3.61 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.90 0.00 87 G 8.47 3.53 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 *89 K 8.38 4.18 0.00 1.88 1.86 0.00 1.59 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.48 7.81 90 K 7.62 4.17 0.00 1.84 1.90 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.83 1.68 7.81 91 L 7.75 3.25 0.00 1.75 1.54 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 92 D 7.85 4.25 0.00 2.93 2.89 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 93 N 7.81 4.28 0.00 2.73 2.82 0.00 0.00 6.50 8.74 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 94 Y 7.80 4.28 0.00 2.43 2.22 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 95 K 6.95 4.26 0.00 1.91 1.75 0.00 1.97 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.38 7.81 96 K 7.76 4.49 0.00 1.59 1.71 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.36 7.81 97 K 7.21 4.02 0.00 1.73 1.51 0.00 1.91 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.