NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1820 8.2493 123.5820 51.9405 19.9557 175.7514 *2 S 4.4188 8.2373 113.4540 58.3508 64.3721 173.1512 3 D 4.6039 9.1012 123.3241 54.3470 42.2226 175.3170 4 T 4.7933 8.3004 119.2283 61.9376 70.1904 173.5721 5 L 4.5821 8.4254 129.3072 53.5901 44.3639 174.4045 6 Y 5.1547 9.0193 124.6432 56.4993 40.1495 174.6123 7 I 5.0380 8.6182 125.2631 59.3919 40.4670 174.7931 8 K 4.8663 8.6253 126.9334 54.5619 36.1746 174.1014 *10 D 4.6136 8.4273 121.2450 54.3249 41.7527 175.9898 11 Q 4.2603 8.6066 120.4725 58.6839 30.1327 175.3065 12 A 5.1825 7.7104 117.2125 50.5110 22.8570 175.6236 13 V 4.3692 8.9995 119.1550 61.3861 35.4640 173.1755 14 E 5.0063 8.7686 128.5113 54.8443 31.2205 174.9154 15 I 4.7259 8.4866 127.0495 59.9499 40.5334 176.2761 16 T 4.5565 8.7333 115.7921 62.4214 69.9264 175.1452 17 K 4.2429 7.9856 121.0628 56.1395 32.9649 176.8488 18 K 4.2082 8.7440 119.2310 59.5965 33.5652 176.9330 19 Q 5.2797 8.1310 117.7491 53.5062 32.1744 175.3114 20 V 4.6500 8.7456 122.5186 60.4112 33.7338 175.2521 21 T 4.7196 8.9181 115.2222 59.4189 71.6428 175.4565 22 V 3.5863 8.6870 121.4959 66.2308 31.3150 178.4560 23 G 3.6548 8.3968 108.5582 48.5188 0.0000 174.9815 24 D 4.2914 7.9335 118.3514 55.8374 40.8171 176.9372 25 V 4.3040 7.5796 116.5922 62.4448 33.5112 174.8862 26 A 4.8728 7.3305 118.9727 50.5474 22.4952 176.0843 27 K 4.3663 8.7114 120.2505 56.0125 33.6212 176.2414 28 L 5.3311 8.4311 122.5264 53.1189 45.6206 175.7690 29 Q 4.5684 8.9955 122.1708 54.8232 32.4499 173.2326 30 C 5.1381 8.6304 125.5708 57.5665 34.3772 173.2626 31 K 3.8058 9.1707 127.0426 59.3995 31.9670 176.0887 32 N 4.6087 7.9147 119.1617 52.3084 38.4350 175.3569 33 K 4.1448 8.4858 126.4743 58.8899 32.2521 178.9004 34 N 4.3992 8.5916 117.3601 56.0313 38.2829 177.2572 35 I 3.1066 7.6174 121.8331 64.4141 37.1171 178.5387 36 T 3.8593 7.6541 110.0498 64.6696 68.5211 175.7294 37 N 4.3178 8.1029 119.1658 56.4482 39.1523 176.5427 38 R 4.0862 7.9180 119.3723 59.5794 30.1009 178.3069 39 L 4.0736 8.1750 118.8186 57.7104 42.3580 178.1132 40 K 4.2179 8.8407 120.9626 58.6491 31.9500 176.3218 41 S 4.6481 7.4271 117.7304 57.1323 62.0895 173.7060 *43 K 4.0707 8.2417 124.1743 56.1895 33.0057 175.7107 44 L 4.5565 8.2359 125.5302 56.0694 43.5268 176.1122 45 L 4.4699 6.9956 116.7060 55.3229 42.8217 172.6371 46 E 4.7303 8.5298 120.1864 54.3147 31.9462 174.4172 47 D 3.3700 9.2107 126.4135 57.9026 40.6522 177.9656 48 T 3.9700 7.3268 118.3691 61.5909 65.7402 173.8911 *53 K 4.7029 8.1762 125.1362 55.6069 35.0027 176.0251 54 R 5.1216 7.3017 115.7431 53.9685 32.8266 173.4120 55 Y 4.8445 9.3853 118.5972 56.3199 42.1705 174.2958 56 I 4.7575 8.6020 117.5184 59.9091 39.6318 174.9841 57 V 4.4341 9.3273 126.0445 61.2422 34.1896 174.3114 58 S 5.0930 8.5314 122.1761 56.2894 64.4792 175.8475 59 I 3.9275 8.4312 128.5864 60.4453 36.8822 177.9811 *61 K 4.2151 8.2454 121.1794 56.3314 33.8688 177.4249 62 I 3.9658 7.3092 116.9171 64.4513 37.4381 177.7120 63 I 3.8566 8.2369 121.4291 64.4591 37.2044 178.4216 64 E 4.0408 7.6942 118.4896 57.0285 29.5027 178.1158 *66 A 4.4969 8.0838 122.0022 51.9402 20.4489 179.6608 67 D 4.4914 8.2972 114.7767 57.3079 41.0235 177.9180 68 Q 4.1603 8.0723 117.2580 58.0241 29.0967 177.0964 69 T 3.9849 7.5201 113.1549 64.1133 69.2986 174.7854 70 F 5.1383 7.6865 118.0611 55.6561 41.9855 175.2977 71 Q 4.1944 8.9199 124.2416 58.7791 29.9494 176.1144 72 N 5.0894 7.7963 112.8316 51.5787 38.7203 173.7128 73 V 4.7970 7.6885 116.7131 61.1601 34.4652 174.6157 74 D 4.9910 8.6484 128.0835 51.8373 41.9096 175.4331 75 I 4.7751 8.1675 120.7162 59.6772 40.0921 174.8957 76 Q 4.3690 8.8741 126.5609 54.2649 31.8567 173.7339 77 N 4.9728 8.9164 126.4833 53.4160 38.8176 174.3962 78 I 4.1882 9.4297 128.7198 61.3973 38.1819 177.2219 79 G 4.2168 7.8132 111.6539 44.9323 0.0000 172.5185 80 E 4.2641 8.7616 124.2291 56.7619 30.4084 176.2842 81 T 4.6105 8.3394 108.2566 61.8478 71.1999 173.7401 82 E 5.2091 8.0695 120.1893 54.8350 33.7579 174.5839 83 C 4.8509 9.1738 122.9116 57.9847 35.7098 172.7820 84 V 4.4009 8.7686 126.9906 61.8685 32.4294 174.5999 85 V 4.4954 8.7856 129.8714 61.6028 33.1926 174.0435 86 E 4.9531 9.0331 129.4880 54.2502 32.0585 174.6681 87 F 4.8628 9.3340 127.1661 57.4857 39.5162 175.9114 88 K 4.3040 8.9839 128.7508 56.5445 34.7765 176.0374 89 T 3.3488 8.5649 108.7550 63.0657 65.3911 170.9607 90 P 4.4718 0.0000 0.0000 62.4917 31.4813 176.4412 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 A 8.25 4.18 1.27 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 0.00 0.00 0.00 *2 S 8.24 4.42 0.00 3.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 9.10 4.60 0.00 2.46 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 4.79 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 0.43 0.00 0.00 5 L 8.43 4.58 0.00 1.58 1.37 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 9.02 5.15 0.00 2.89 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 7 I 8.62 5.04 1.90 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 1.13 1.07 0.94 0.00 0.00 8 K 8.63 4.87 0.00 1.84 1.64 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.39 7.81 *10 D 8.43 4.61 0.00 2.62 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 11 Q 8.61 4.26 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 12 A 7.71 5.18 1.16 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 13 V 9.00 4.37 2.04 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 0.74 0.00 0.00 0.94 0.00 0.00 14 E 8.77 5.01 0.00 1.98 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 0.00 2.21 2.45 0.00 15 I 8.49 4.73 1.43 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.55 0.99 0.00 0.00 16 T 8.73 4.56 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 1.24 0.00 0.00 17 K 7.99 4.24 0.00 1.95 1.89 0.00 1.99 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.48 7.81 18 K 8.74 4.21 0.00 1.78 2.05 0.00 1.47 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.42 7.81 19 Q 8.13 5.28 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 20 V 8.75 4.65 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 0.90 0.00 0.00 0.90 0.00 0.00 21 T 8.92 4.72 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 1.23 0.00 0.00 22 V 8.69 3.59 2.35 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 0.99 0.00 0.00 0.99 0.00 0.00 23 G 8.40 3.65 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 0.00 0.00 0.00 24 D 7.93 4.29 0.00 2.86 2.72 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 0.00 0.00 0.00 25 V 7.58 4.30 2.07 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 0.79 0.00 0.00 0.91 0.00 0.00 26 A 7.33 4.87 1.17 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 27 K 8.71 4.37 0.00 1.81 1.74 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.47 7.81 28 L 8.43 5.33 0.00 1.50 1.55 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 9.00 4.57 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.50 0.00 30 C 8.63 5.14 0.00 2.90 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 31 K 9.17 3.81 0.00 1.79 1.85 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.47 7.81 32 N 7.91 4.61 0.00 2.89 2.62 0.00 0.00 7.19 6.12 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 33 K 8.49 4.14 0.00 1.88 1.84 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.59 7.81 34 N 8.59 4.40 0.00 2.81 2.91 0.00 0.00 6.84 6.60 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 35 I 7.62 3.11 1.70 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.50 0.24 0.00 0.00 36 T 7.65 3.86 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 1.22 0.00 0.00 37 N 8.10 4.32 0.00 2.79 2.98 0.00 0.00 7.20 7.16 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 38 R 7.92 4.09 0.00 2.14 2.50 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 39 L 8.17 4.07 0.00 2.03 1.78 1.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.84 4.22 0.00 2.09 1.84 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.53 7.81 41 S 7.43 4.65 0.00 3.88 3.84 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 0.00 0.00 0.00 *43 K 8.24 4.07 0.00 1.76 1.80 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.43 7.81 44 L 8.24 4.56 0.00 1.79 1.69 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.00 4.47 0.00 1.67 1.63 1.07 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.53 4.73 0.00 1.91 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 0.00 2.06 2.14 0.00 47 D 9.21 3.37 0.00 1.98 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 0.00 0.00 0.00 0.00 48 T 7.33 3.97 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 1.21 0.00 0.00 *53 K 8.18 4.70 0.00 1.88 2.08 0.00 1.42 0.00 0.00 1.61 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.34 7.81 54 R 7.30 5.12 0.00 1.81 1.81 0.00 2.92 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.53 0.00 55 Y 9.39 4.84 0.00 2.98 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 56 I 8.60 4.76 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 1.27 0.60 0.92 0.00 0.00 57 V 9.33 4.43 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 1.03 0.00 0.00 0.97 0.00 0.00 58 S 8.53 5.09 0.00 3.96 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 59 I 8.43 3.93 1.88 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 1.20 1.29 0.97 0.00 0.00 *61 K 8.25 4.22 0.00 1.91 2.06 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.54 7.81 62 I 7.31 3.97 2.01 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 1.32 0.67 0.95 0.00 0.00 63 I 8.24 3.86 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 0.92 0.00 0.00 64 E 7.69 4.04 0.00 2.10 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 2.31 2.28 0.00 *66 A 8.08 4.50 1.55 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 67 D 8.30 4.49 0.00 2.93 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 68 Q 8.07 4.16 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 69 T 7.52 3.98 3.21 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 0.42 0.00 0.00 70 F 7.69 5.14 0.00 3.19 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 71 Q 8.92 4.19 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.37 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 72 N 7.80 5.09 0.00 2.62 2.67 0.00 0.00 6.39 7.68 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 73 V 7.69 4.80 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 0.68 0.00 0.00 0.74 0.00 0.00 74 D 8.65 4.99 0.00 2.81 2.72 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 0.00 0.00 0.00 75 I 8.17 4.78 1.85 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 1.18 0.62 0.94 0.00 0.00 76 Q 8.87 4.37 0.00 1.91 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 77 N 8.92 4.97 0.00 2.79 2.75 0.00 0.00 7.19 7.94 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 78 I 9.43 4.19 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.06 0.92 0.00 0.00 79 G 7.81 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 0.00 0.00 0.00 0.00 80 E 8.76 4.26 0.00 1.98 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 2.32 2.32 0.00 81 T 8.34 4.61 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 1.22 0.00 0.00 82 E 8.07 5.21 0.00 1.81 1.83 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 2.21 2.23 0.00 83 C 9.17 4.85 0.00 3.02 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 84 V 8.77 4.40 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 0.74 0.00 0.00 0.92 0.00 0.00 85 V 8.79 4.50 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 0.43 0.00 0.00 0.89 0.00 0.00 86 E 9.03 4.95 0.00 1.95 1.71 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 2.19 2.38 0.00 87 F 9.33 4.86 0.00 3.02 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 88 K 8.98 4.30 0.00 1.75 1.77 0.00 1.95 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.55 7.81 89 T 8.56 3.35 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 1.26 0.00 0.00 90 P 0.00 4.47 0.00 2.10 1.96 0.00 3.78 0.00 0.00 3.61 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 * Residues marked with a * may have inaccurate shift predictions.