NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.1800 8.2993 120.1375 55.9022 33.5999 175.2350 12 F 4.2380 8.6192 119.4011 56.2849 36.9739 174.0668 13 R 3.9506 8.9292 126.9851 57.6704 32.3998 180.1795 14 V 3.4233 7.6256 114.8388 62.6700 31.6352 172.6459 15 R 3.6941 9.0247 114.2320 56.9185 27.4751 176.5340 16 N 4.9524 8.1359 111.4603 54.0872 39.1005 175.6679 17 R 4.5025 7.5590 117.0534 55.5873 29.5860 179.3029 18 I 2.9558 8.6377 116.8818 62.1443 36.6353 173.8688 19 K 4.2040 8.5679 123.0565 56.1229 30.9580 178.3072 20 R 4.5437 7.6099 118.1966 54.8894 31.7215 175.9306 21 T 4.5230 8.2308 112.2976 61.7221 70.6926 176.2469 22 G 3.5779 8.2786 108.2956 45.1697 0.0000 173.8144 23 R 3.0646 8.6151 115.3070 57.4667 29.5335 174.4623 24 L 3.7098 7.9851 121.3557 54.2393 39.0157 173.1684 25 R 4.9714 8.0386 122.0914 53.8711 32.0854 176.9292 26 L 4.6709 8.8581 129.5066 53.3064 41.2703 177.0518 27 S 4.3849 7.8234 113.1542 58.5752 63.3330 173.9038 28 V 4.5770 8.2324 126.1963 60.9826 33.3867 175.1771 29 F 4.9861 8.2298 123.7817 56.4308 38.6857 174.2134 30 R 3.8323 7.7687 119.4607 57.0137 31.0749 175.1142 31 S 4.3807 8.3835 117.2091 56.2077 65.8837 174.5795 32 L 3.8428 8.3870 126.1505 57.9236 41.3153 179.5330 33 K 4.5219 7.5083 114.8069 55.3612 33.0328 176.6592 34 H 4.4386 7.4492 114.0250 58.1247 33.9176 172.1128 35 I 4.1355 7.4788 113.9403 61.3305 41.3695 174.1489 36 Y 5.4038 7.9499 125.6966 56.7888 41.5722 174.4308 37 A 5.1373 8.5626 120.5242 51.2845 23.0099 175.5742 38 Q 4.6850 8.8207 119.4122 54.4523 34.0044 174.4658 39 I 5.2888 8.5431 123.7045 58.8963 37.8924 174.8433 40 I 4.5311 7.9212 120.2194 59.7194 40.5980 174.3116 41 D 5.0626 8.8468 123.9449 51.9535 41.2101 175.1749 42 D 4.6626 8.1633 122.6399 54.9124 41.6965 176.7701 43 E 4.1319 9.5030 119.0391 56.3675 27.1225 175.3632 44 K 4.2763 7.6554 116.2012 56.4803 35.4271 177.0680 45 G 3.9270 8.4619 104.5714 45.0618 0.0000 172.8050 46 V 4.4354 7.3790 118.2494 60.9577 34.3510 174.7001 47 T 4.7555 8.1643 120.5530 62.7701 71.3781 174.8049 48 L 4.3812 8.8472 123.9029 54.8900 42.9281 179.8354 49 V 3.9685 9.0724 126.7101 64.1633 33.5968 174.0478 50 S 4.8760 8.1606 114.3601 57.5590 65.5539 174.7868 51 A 4.6751 8.7890 125.2882 50.4548 22.5029 174.6549 52 S 4.5086 8.5139 116.7612 57.1565 64.8496 172.7003 53 S 4.1876 9.3345 120.9930 59.6369 62.1944 175.6075 54 L 3.4757 7.1025 121.7250 58.0704 42.3275 179.1126 55 A 4.3096 7.8711 118.1476 53.1403 18.3299 176.8278 56 L 4.7969 8.3901 118.8794 54.4177 44.3280 179.1547 57 K 3.7315 8.6118 119.6063 55.2969 29.9549 175.0587 58 L 3.6521 8.9470 125.2588 54.8276 43.6476 172.6324 59 K 4.1825 7.8938 113.2337 57.3126 31.8399 177.2038 60 G 4.0932 8.7036 114.4111 47.0259 0.0000 172.3339 61 N 4.6407 7.6666 117.8960 55.8425 39.6349 179.1483 62 K 3.9044 8.1879 112.2798 58.4995 32.5828 176.7236 63 T 3.9842 8.2198 114.4797 64.3028 68.2587 176.0265 64 E 4.0536 8.0543 121.1525 57.8480 29.4919 179.2763 65 V 3.4621 7.2958 119.3641 65.9560 31.5810 177.6603 66 A 4.0181 8.0382 120.5798 55.3117 18.3287 179.7293 67 R 3.9055 8.0546 116.0182 59.3850 30.1302 179.2800 68 Q 3.9733 7.5967 117.8010 59.0109 29.0453 178.9028 69 V 3.8309 8.1677 120.3675 64.7286 31.0460 178.4323 70 G 3.6009 8.5916 107.1371 47.6939 0.0000 175.8181 71 R 3.7642 8.0777 120.9063 58.7228 30.1222 179.0611 72 A 3.9376 8.0028 120.1870 55.1956 18.3361 179.5359 73 L 4.1967 7.5835 116.5019 58.0744 42.3024 178.6350 74 A 4.1217 8.6950 121.8798 55.0263 18.0774 179.0755 75 E 3.8538 8.8215 116.4275 59.6476 29.5692 179.8685 76 K 3.8348 8.4787 117.5398 60.1276 32.2709 178.0501 77 A 4.1861 8.0978 121.8735 53.4975 18.3759 179.0547 78 L 3.8994 7.9492 115.1812 57.7566 41.7462 179.2013 79 A 3.8981 7.4844 119.8958 55.8309 18.7240 178.5713 80 L 4.0392 7.9020 114.9974 58.8413 41.9283 176.7617 81 G 3.7680 7.2374 105.3200 45.8621 0.0000 171.9981 82 I 4.7004 7.6461 125.7051 59.6960 41.6549 174.8872 83 K 4.8938 7.5201 130.1484 56.8997 32.8349 173.0881 84 Q 4.9085 8.0201 119.5836 54.5065 31.0534 174.6902 85 V 4.6906 8.2606 118.1379 60.4590 36.2296 173.2309 86 A 4.7996 9.4819 123.2047 49.3477 21.7024 176.9693 87 F 4.7101 9.1472 125.4558 56.7985 40.4374 175.1594 88 D 4.6837 9.6534 119.9782 53.2145 41.4924 175.3483 89 R 4.0907 8.5930 129.0863 55.0370 28.0642 175.4384 90 G 3.6837 8.0835 112.7230 48.7127 0.0000 171.7709 91 P 4.2781 0.0000 0.0000 63.9809 31.1648 181.0393 92 Y 3.2258 7.6602 113.1396 53.4053 41.6523 174.8457 93 K 3.0417 5.6600 119.6560 58.0559 31.0487 177.6839 94 Y 3.7470 6.8521 114.1553 58.5294 35.7594 172.0277 95 H 4.3076 7.9046 125.1785 56.6224 34.0316 175.4074 96 G 3.2004 8.0875 107.6818 45.9275 0.0000 177.1022 97 R 3.9554 9.1635 116.0734 56.3890 29.6864 177.3766 98 V 3.3491 8.5797 112.4662 62.8657 32.1336 177.7710 99 K 4.3005 8.5635 128.1598 55.6466 31.3576 178.5689 100 A 4.3762 7.3997 124.0601 51.5235 17.3279 177.4722 101 L 4.5618 7.3839 121.9020 53.9941 43.6416 180.7894 102 A 4.4191 8.1766 121.8318 50.6640 18.3398 180.5370 103 E 3.1342 9.8739 118.3945 61.6584 29.4770 177.2448 104 G 3.5811 8.0587 109.6824 47.2370 0.0000 175.5209 105 A 4.3947 8.6575 132.6565 52.1606 17.5912 178.7363 106 R 4.1125 8.5947 119.1733 57.8436 30.1923 176.8446 107 E 3.5566 8.6804 117.8261 57.0287 30.1995 173.1605 108 G 3.8361 8.6216 106.6290 45.3434 0.0000 173.7988 *109 G 3.7078 7.8070 111.8792 45.7565 0.0000 172.4383 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 K 8.30 4.18 0.00 1.70 1.75 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.43 7.81 12 F 8.62 4.24 0.00 3.26 3.25 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 13 R 8.93 3.95 0.00 1.87 2.13 0.00 3.43 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 14 V 7.63 3.42 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 1.04 0.00 0.00 1.01 0.00 0.00 15 R 9.02 3.69 0.00 2.00 1.94 0.00 3.34 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.58 0.00 16 N 8.14 4.95 0.00 2.77 2.78 0.00 0.00 6.65 7.67 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 17 R 7.56 4.50 0.00 1.90 1.59 0.00 2.88 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 18 I 8.64 2.96 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 1.30 0.69 0.91 0.00 0.00 19 K 8.57 4.20 0.00 1.62 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.41 7.81 20 R 7.61 4.54 0.00 1.78 1.83 0.00 3.34 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 21 T 8.23 4.52 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 22 G 8.28 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 3.06 0.00 1.90 1.86 0.00 3.32 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 24 L 7.99 3.71 0.00 1.89 1.70 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.04 4.97 0.00 1.71 1.78 0.00 3.07 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 26 L 8.86 4.67 0.00 1.49 1.32 1.07 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.82 4.38 0.00 3.94 3.72 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 28 V 8.23 4.58 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 0.74 0.00 0.00 29 F 8.23 4.99 0.00 3.15 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 30 R 7.77 3.83 0.00 1.72 1.73 0.00 3.18 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 31 S 8.38 4.38 0.00 3.35 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 32 L 8.39 3.84 0.00 1.59 1.69 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.51 4.52 0.00 1.53 1.68 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.31 7.81 34 H 7.45 4.44 0.00 3.61 3.61 0.00 5.51 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.48 4.14 1.88 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 1.42 1.08 0.99 0.00 0.00 36 Y 7.95 5.40 0.00 3.08 2.78 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 37 A 8.56 5.14 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 38 Q 8.82 4.69 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 39 I 8.54 5.29 1.86 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 0.90 1.77 0.90 0.00 0.00 40 I 7.92 4.53 1.85 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 1.20 0.84 0.89 0.00 0.00 41 D 8.85 5.06 0.00 2.74 2.54 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 42 D 8.16 4.66 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.50 4.13 0.00 2.08 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 2.16 2.20 0.00 44 K 7.66 4.28 0.00 1.75 1.79 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.47 7.81 45 G 8.46 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.38 4.44 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 1.07 0.00 0.00 0.92 0.00 0.00 47 T 8.16 4.76 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 1.30 0.00 0.00 48 L 8.85 4.38 0.00 1.64 1.17 0.91 0.79 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 49 V 9.07 3.97 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 1.09 0.00 0.00 0.97 0.00 0.00 50 S 8.16 4.88 0.00 3.83 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 51 A 8.79 4.68 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 52 S 8.51 4.51 0.00 3.60 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 53 S 9.33 4.19 0.00 4.05 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 54 L 7.10 3.48 0.00 1.89 1.85 0.98 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.87 4.31 1.13 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 0.00 0.00 56 L 8.39 4.80 0.00 1.64 1.67 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.61 3.73 0.00 1.95 1.73 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.40 7.81 58 L 8.95 3.65 0.00 1.78 1.67 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.89 4.18 0.00 1.75 0.90 0.00 1.93 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.46 1.50 7.81 60 G 8.70 4.09 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 0.00 0.00 0.00 61 N 7.67 4.64 0.00 2.72 2.88 0.00 0.00 7.33 6.75 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 62 K 8.19 3.90 0.00 1.92 2.08 0.00 1.69 0.00 0.00 1.96 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.40 7.81 63 T 8.22 3.98 4.20 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 1.16 0.00 0.00 64 E 8.05 4.05 0.00 2.21 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 0.00 2.65 2.38 0.00 65 V 7.30 3.46 2.23 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 1.12 0.00 0.00 0.98 0.00 0.00 66 A 8.04 4.02 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 67 R 8.05 3.91 0.00 2.02 2.01 0.00 3.12 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 68 Q 7.60 3.97 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 69 V 8.17 3.83 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 0.86 0.00 0.00 1.06 0.00 0.00 70 G 8.59 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.08 3.76 0.00 2.08 2.06 0.00 3.16 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 72 A 8.00 3.94 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 73 L 7.58 4.20 0.00 1.91 1.82 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.70 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 3.85 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 2.34 2.61 0.00 76 K 8.48 3.83 0.00 1.73 1.91 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.64 7.81 77 A 8.10 4.19 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 78 L 7.95 3.90 0.00 1.70 1.78 1.05 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.48 3.90 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 80 L 7.90 4.04 0.00 1.58 1.75 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.24 3.77 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 82 I 7.65 4.70 1.88 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 1.44 0.99 0.92 0.00 0.00 83 K 7.52 4.89 0.00 1.82 1.79 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.19 7.81 84 Q 8.02 4.91 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.49 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 85 V 8.26 4.69 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 0.70 0.00 0.00 0.97 0.00 0.00 86 A 9.48 4.80 1.20 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 0.00 0.00 87 F 9.15 4.71 0.00 3.06 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 88 D 9.65 4.68 0.00 2.71 1.54 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 89 R 8.59 4.09 0.00 2.38 2.42 0.00 3.52 0.00 0.00 3.51 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.04 0.00 90 G 8.08 3.68 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 0.00 0.00 0.00 91 P 0.00 4.28 0.00 1.93 1.85 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.06 0.00 92 Y 7.66 3.23 0.00 3.41 3.40 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 93 K 5.66 3.04 0.00 1.81 1.78 0.00 1.46 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.18 1.32 7.81 94 Y 6.85 3.75 0.00 3.31 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 95 H 7.90 4.31 0.00 3.15 3.06 0.00 6.00 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 96 G 8.09 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 0.00 0.00 0.00 97 R 9.16 3.96 0.00 1.90 2.03 0.00 3.14 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 98 V 8.58 3.35 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 0.15 0.00 0.00 0.77 0.00 0.00 99 K 8.56 4.30 0.00 2.04 1.92 0.00 1.95 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.63 7.81 100 A 7.40 4.38 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 0.00 101 L 7.38 4.56 0.00 1.80 1.73 1.11 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.18 4.42 1.07 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 0.00 103 E 9.87 3.13 0.00 2.08 2.02 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 2.27 2.26 0.00 104 G 8.06 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 4.39 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 0.00 106 R 8.59 4.11 0.00 1.90 2.03 0.00 3.70 0.00 0.00 3.50 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 107 E 8.68 3.56 0.00 2.19 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 0.00 2.23 2.27 0.00 108 G 8.62 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 0.00 0.00 0.00 *109 G 7.81 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 * Residues marked with a * may have inaccurate shift predictions.