NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9574 8.2127 107.9791 46.3406 0.0000 171.6118 2 V 4.8212 7.9897 119.3208 59.5778 33.1935 172.9372 3 Y 4.9933 8.3770 123.9485 55.8596 42.3566 172.5484 4 H 5.1168 9.3472 120.6176 55.3510 31.3287 174.1919 5 R 4.7433 8.9800 125.4936 54.5760 33.3930 173.7569 6 E 5.1292 8.5650 123.2524 53.9531 32.9705 175.8511 7 A 4.1428 8.5250 124.2976 52.1064 19.2051 178.7154 8 R 3.8974 8.6505 120.7163 59.5070 30.0996 178.0807 9 S 4.2231 7.8510 109.9116 58.8276 63.6782 172.8940 10 G 3.7133 7.0797 106.5329 43.6109 0.0000 172.9276 11 K 3.9349 8.2950 121.3740 57.5773 33.1203 176.9844 12 Y 3.9371 9.1585 123.3454 59.4386 34.9944 170.2692 13 K 4.6613 7.9033 112.4683 55.6928 35.2792 176.4020 14 L 4.9385 8.3754 120.9731 52.8639 43.6641 176.7712 15 T 5.3662 8.8047 116.1141 60.7347 70.9537 174.9370 16 Y 2.3900 7.8533 121.3566 60.3690 38.5176 178.1192 17 A 3.7465 7.7360 120.8910 55.1014 18.4138 179.3573 18 E 3.8358 7.9519 116.4247 59.2818 29.5732 179.1077 19 A 4.0010 8.2185 121.3016 55.2016 18.3525 179.4869 20 K 3.6751 7.6727 117.5684 59.6843 32.1718 178.7948 21 A 3.9614 7.9797 120.9144 54.9400 18.0918 179.7720 22 V 3.5790 7.9825 116.8638 66.5582 31.6458 177.7185 23 C 4.4015 8.3082 116.1975 60.0856 40.5092 176.0382 24 E 4.3182 8.4917 121.8599 58.8782 28.8115 179.1024 25 F 4.1965 8.3046 119.9179 60.9929 39.5086 176.0837 26 E 4.2875 7.7810 115.4921 56.2570 29.5626 177.1999 27 G 4.0052 8.3327 108.0214 44.7844 0.0000 174.1647 28 G 4.3294 8.1192 108.3850 45.7733 0.0000 171.7565 29 H 5.3047 8.8874 118.6417 54.0569 34.1461 173.2562 30 L 4.5452 8.6400 119.7870 55.1571 42.1842 177.3943 31 A 4.5273 9.3092 125.9218 52.2191 19.6578 177.6211 32 T 4.4571 8.9527 111.7747 60.9506 70.3570 175.3579 33 Y 3.9055 8.7292 122.6208 60.7631 38.6346 178.0265 34 K 3.9181 8.2175 119.9537 59.7891 32.2536 178.5429 35 Q 3.8529 7.9029 118.0287 58.8402 28.5254 178.5066 36 L 3.8988 8.1333 121.7369 58.1267 42.0694 178.9308 37 E 3.7736 8.3584 118.8220 59.2337 29.1515 179.1801 38 A 4.0196 8.1192 120.0569 54.6921 18.6319 179.4145 39 A 4.0554 8.2055 119.5804 55.3409 18.6494 179.3572 40 R 4.3792 8.1629 119.0401 59.2984 29.8932 178.6650 41 K 4.1403 7.8321 115.7344 58.6774 32.0391 178.6911 42 I 4.0738 7.9118 119.0035 61.4891 38.0384 176.9740 43 G 4.7712 7.6633 119.3974 46.5479 0.0000 170.4642 44 F 4.2279 7.8182 123.3246 58.5515 38.7899 172.6919 45 H 4.7386 8.3609 126.5333 53.8178 31.8110 173.4081 46 V 4.1725 7.7912 125.9116 61.8622 34.5708 175.5122 47 C 4.3331 8.3456 127.5952 57.5193 26.6907 172.5405 48 A 4.6109 7.1560 120.1771 50.2594 22.4935 176.8638 49 A 4.3591 9.5023 126.1375 51.9950 19.6502 176.7867 50 G 4.4942 9.3371 108.5764 43.8416 0.0000 172.0515 51 W 5.1725 9.0167 121.4641 57.6089 30.4037 175.3282 52 M 5.4020 9.5270 122.1222 52.9458 36.1102 174.6176 53 A 4.1214 9.0447 122.4074 54.3004 18.8065 178.9058 54 K 3.9989 9.2812 118.3652 56.2309 29.9943 177.0905 55 G 3.8165 8.2266 107.1814 46.0252 0.0000 173.7032 56 R 4.6880 7.7545 119.3908 56.0255 31.5243 175.3484 57 V 4.5736 8.2841 123.9309 61.3040 34.4921 174.7771 58 G 4.5455 8.6899 113.1046 46.1014 0.0000 170.8414 59 Y 5.1651 8.0786 116.8374 54.7472 41.7782 172.6945 60 P 4.5721 0.0000 0.0000 63.0446 32.5523 175.1003 61 I 3.9551 9.2287 122.8197 62.6695 39.5789 176.0866 *74 G 3.7820 7.5550 105.0443 46.2545 0.0000 170.3309 75 I 4.8205 8.0013 119.8419 59.2451 39.5910 175.6887 76 I 3.8866 7.9710 128.7894 60.6125 38.2864 174.3637 77 D 4.8427 8.6146 127.4976 53.3101 41.6474 175.3613 78 Y 3.9083 9.0996 123.9362 57.6769 38.6247 177.0384 79 G 3.9602 8.8029 106.2519 44.9376 0.0000 173.0824 80 I 4.3530 7.9541 119.9672 60.9601 37.4030 176.3001 81 R 4.3952 8.5562 125.6291 55.1246 31.0165 176.5804 82 L 3.9467 8.7763 125.0297 57.7744 42.6334 176.4089 83 N 4.7200 8.0769 120.1249 52.3939 38.3668 174.7546 84 R 4.3805 8.5172 123.9829 57.0946 30.2663 178.1440 85 S 4.7065 8.3830 113.6981 58.3100 63.7956 174.5291 86 E 4.0847 8.3882 121.3498 56.7392 29.8015 176.1520 87 R 5.0266 8.1056 121.1972 54.5979 31.6619 175.3288 88 W 5.0354 9.2426 123.6497 55.9124 33.7884 172.8792 89 D 5.5272 8.7977 120.4477 54.2741 43.6752 175.4518 90 A 5.1918 8.5524 119.7121 51.4544 23.3706 175.3743 91 Y 5.0918 8.9787 118.4983 56.6075 40.5823 174.3377 92 C 5.1893 8.8311 122.4795 55.3134 39.5064 172.1570 93 Y 5.1096 9.1982 123.6005 55.8238 41.1466 173.9258 94 N 4.7848 8.3711 124.6659 51.1967 41.5087 173.0070 95 P 4.0298 0.0000 0.0000 65.8618 31.5624 177.1843 96 H 4.3622 8.1958 113.2073 56.9710 29.1672 175.1944 97 A 4.0960 7.9260 127.4941 52.3020 18.1194 177.0518 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 G 8.21 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 2 V 7.99 4.82 1.69 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 0.77 0.00 0.00 1.07 0.00 0.00 3 Y 8.38 4.99 0.00 3.16 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 4 H 9.35 5.12 0.00 3.55 3.49 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.98 4.74 0.00 1.93 1.70 0.00 3.26 0.00 0.00 3.62 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 6 E 8.57 5.13 0.00 1.81 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 2.36 2.17 0.00 7 A 8.52 4.14 1.28 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 8 R 8.65 3.90 0.00 1.76 1.97 0.00 3.21 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 9 S 7.85 4.22 0.00 4.01 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 10 G 7.08 3.71 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 0.00 0.00 0.00 11 K 8.29 3.93 0.00 1.53 1.51 0.00 1.60 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.30 0.85 7.81 12 Y 9.16 3.94 0.00 3.04 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 13 K 7.90 4.66 0.00 1.86 1.77 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.66 7.81 14 L 8.38 4.94 0.00 2.13 1.72 1.02 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.80 5.37 4.45 0.00 0.00 0.00 0.00 0.00 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 16 Y 7.85 2.39 0.00 1.43 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 17 A 7.74 3.75 1.26 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 0.00 0.00 18 E 7.95 3.84 0.00 2.24 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 0.00 2.31 2.29 0.00 19 A 8.22 4.00 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 20 K 7.67 3.68 0.00 1.34 1.69 0.00 1.52 0.00 0.00 1.42 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.33 1.35 7.81 21 A 7.98 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 3.58 2.27 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 1.11 0.00 0.00 0.96 0.00 0.00 23 C 8.31 4.40 0.00 3.02 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 24 E 8.49 4.32 0.00 2.05 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 2.41 2.34 0.00 25 F 8.30 4.20 0.00 3.09 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 26 E 7.78 4.29 0.00 2.21 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 0.00 2.43 2.58 0.00 27 G 8.33 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 28 G 8.12 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 0.00 0.00 0.00 0.00 29 H 8.89 5.30 0.00 3.16 3.20 0.00 5.63 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 30 L 8.64 4.55 0.00 1.62 1.74 0.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31 A 9.31 4.53 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.95 4.46 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 1.19 0.00 0.00 33 Y 8.73 3.91 0.00 3.12 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 34 K 8.22 3.92 0.00 1.91 1.78 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.54 7.81 35 Q 7.90 3.85 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 1.68 2.03 0.00 36 L 8.13 3.90 0.00 1.72 1.50 0.75 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.36 3.77 0.00 1.90 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 0.00 1.79 2.38 0.00 38 A 8.12 4.02 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 39 A 8.21 4.06 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.16 4.38 0.00 2.04 2.08 0.00 3.45 0.00 0.00 3.50 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 41 K 7.83 4.14 0.00 1.80 1.87 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.43 7.81 42 I 7.91 4.07 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.04 1.01 0.00 0.00 43 G 7.66 4.77 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 44 F 7.82 4.23 0.00 3.06 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 45 H 8.36 4.74 0.00 3.02 3.08 0.00 5.95 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.79 4.17 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 0.71 0.00 0.00 0.57 0.00 0.00 47 C 8.35 4.33 0.00 2.91 2.75 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 48 A 7.16 4.61 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 49 A 9.50 4.36 0.49 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 0.00 0.00 50 G 9.34 4.49 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 0.00 0.00 0.00 51 W 9.02 5.17 0.00 3.46 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 52 M 9.53 5.40 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.62 0.00 53 A 9.04 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.28 4.00 0.00 2.02 2.04 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.48 7.81 55 G 8.23 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 56 R 7.75 4.69 0.00 2.00 1.93 0.00 3.18 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 57 V 8.28 4.57 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 -0.61 0.00 0.00 58 G 8.69 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.08 5.17 0.00 3.22 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 60 P 0.00 4.57 0.00 2.11 2.03 0.00 3.54 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 61 I 9.23 3.96 1.83 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 1.10 0.96 0.98 0.00 0.00 *74 G 7.55 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 75 I 8.00 4.82 1.77 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.60 0.80 0.00 0.00 76 I 7.97 3.89 0.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.51 1.02 0.00 0.00 77 D 8.61 4.84 0.00 2.67 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 78 Y 9.10 3.91 0.00 2.54 2.62 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 79 G 8.80 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 80 I 7.95 4.35 1.87 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 1.44 0.57 0.99 0.00 0.00 81 R 8.56 4.40 0.00 2.22 2.08 0.00 3.43 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.42 0.00 82 L 8.78 3.95 0.00 1.61 1.74 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.08 4.72 0.00 2.92 2.84 0.00 0.00 7.19 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 84 R 8.52 4.38 0.00 1.85 1.76 0.00 2.57 0.00 0.00 3.39 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.41 0.00 85 S 8.38 4.71 0.00 4.11 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 86 E 8.39 4.08 0.00 2.66 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 2.45 2.68 0.00 87 R 8.11 5.03 0.00 1.68 1.85 0.00 3.29 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 88 W 9.24 5.04 0.00 2.70 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 89 D 8.80 5.53 0.00 2.99 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 90 A 8.55 5.19 1.26 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 0.00 0.00 91 Y 8.98 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 92 C 8.83 5.19 0.00 1.36 2.57 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 93 Y 9.20 5.11 0.00 3.04 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 94 N 8.37 4.78 0.00 2.87 2.67 0.00 0.00 6.78 7.22 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 95 P 0.00 4.03 0.00 1.96 2.12 0.00 3.67 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.34 0.00 96 H 8.20 4.36 0.00 3.25 3.32 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.93 4.10 1.25 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 * Residues marked with a * may have inaccurate shift predictions.