NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7993 8.4244 119.4718 53.8155 39.5398 171.8463 3 T 4.6668 8.1553 117.6936 59.2102 70.6485 170.4453 4 L 4.7198 10.1112 133.0860 53.3616 44.8707 174.0709 5 E 5.2144 8.7867 125.6804 54.6317 31.5474 175.1922 6 L 4.8111 8.8963 126.2379 53.2674 45.8979 175.0525 7 S 4.9967 8.8344 120.7021 57.9310 63.9797 173.0861 8 A 4.9041 8.4104 123.1641 51.0723 22.9064 174.6753 9 R 4.7862 8.8311 118.2885 54.1530 33.7846 176.0673 10 V 3.9429 8.5590 123.1592 63.1750 31.6560 176.4635 11 L 4.2196 8.9728 129.7654 56.9805 42.4535 177.6155 12 E 4.7742 7.9771 116.2872 54.5977 34.2667 174.3111 13 C 4.8901 8.5875 122.4632 57.3746 33.9791 173.8989 14 G 3.6373 9.0955 114.2328 47.4398 0.0000 173.2234 15 A 3.8898 8.7655 124.5064 53.9838 18.1716 179.5394 *17 R 4.1981 8.7126 121.0691 55.4513 33.0333 174.8322 18 H 5.5024 8.4191 114.5912 54.7610 33.0491 174.1119 19 T 4.2288 9.0273 111.6358 60.5708 69.4976 173.9033 20 P 4.3357 0.0000 0.0000 65.5091 31.3340 177.2644 21 A 4.2612 7.9986 118.3316 52.1541 18.8074 177.7827 22 G 3.9155 8.5561 105.2119 44.9332 0.0000 173.5224 23 L 4.3290 7.8681 122.6569 53.5839 43.5246 174.4144 24 P 4.6972 0.0000 0.0000 63.5454 32.4356 174.9619 25 A 5.1202 8.7868 124.8036 50.3146 22.5752 175.3070 26 L 4.6225 8.9161 123.1290 53.4718 45.8452 174.7538 27 E 4.9866 8.7974 125.4651 55.0797 31.7321 174.9708 28 L 5.1866 8.9562 123.6136 52.8028 46.0315 175.0489 29 L 4.8595 8.5510 124.3100 53.5917 43.9368 175.0377 30 L 5.3931 9.0158 126.8572 52.8114 45.0244 175.7029 31 V 4.8671 8.6247 122.1613 60.1338 34.2734 173.8006 32 H 5.2104 9.6234 124.6567 54.3288 32.5913 172.3914 33 E 5.2047 8.1963 123.8749 54.8397 33.0953 174.7145 34 S 4.6274 8.7938 117.6404 57.7937 67.1206 173.3359 35 E 5.0409 8.7366 118.3158 54.8111 31.0955 175.6099 36 V 4.6485 8.6790 116.9196 59.3843 35.4803 174.9730 37 V 4.3249 8.2377 120.6008 59.9120 32.8424 174.8325 38 E 4.3561 8.4096 124.1483 55.2381 32.4987 175.1383 39 A 3.6607 9.9857 130.1199 53.1550 15.8643 176.7754 40 G 3.8497 7.8487 108.5487 44.8399 0.0000 172.6653 *43 R 4.2039 7.6835 119.5773 56.1189 31.4242 174.2646 44 R 5.1196 8.5933 122.1735 54.7739 31.8712 175.7238 45 V 4.6285 9.1583 121.1432 59.7847 34.4214 174.0019 46 E 5.2057 8.8774 122.0354 54.3967 31.8883 174.8818 47 L 4.7413 9.2933 126.3448 53.5074 45.3954 174.8181 48 T 5.0238 8.6079 122.8688 62.0952 70.4135 174.0454 49 I 4.6229 8.9591 125.9917 59.4381 41.9353 174.2825 50 S 4.8699 8.7855 124.8846 58.5908 64.2181 172.9453 51 A 5.2483 9.2954 124.6867 50.1751 22.9657 175.3053 52 V 4.8813 8.6151 118.5214 59.8331 35.0969 174.1767 53 A 4.9608 8.9069 125.4378 50.0964 21.6307 175.1420 54 L 4.9853 8.4525 120.9102 53.1446 44.8960 178.7488 55 G 3.8346 8.9478 109.0385 47.0137 0.0000 176.6696 56 D 4.3681 8.7012 120.5803 57.1718 40.6603 177.9376 57 L 3.9293 7.9374 120.2886 57.8717 41.9074 178.6613 58 A 3.9582 7.8938 119.5509 55.1151 18.5584 179.0531 59 L 4.0617 7.6951 117.1692 57.8699 41.4929 179.5094 60 L 3.9702 7.8406 119.0232 58.0720 42.2873 178.3409 61 L 4.2427 8.1206 116.4510 54.0729 41.8536 176.7018 62 A 3.9473 7.1266 123.1133 53.8658 18.6652 177.0616 63 D 4.4262 8.8580 120.3898 55.2631 38.5133 174.1365 64 T 3.8796 7.4851 116.2546 63.0817 68.6811 172.8115 65 P 4.3282 0.0000 0.0000 62.4953 32.0307 175.8769 66 L 4.0969 8.2130 121.6970 56.3717 42.0332 177.7423 67 G 3.9896 9.1755 111.9754 45.1934 0.0000 174.0638 68 T 3.9251 7.3892 116.9850 64.5084 69.4362 173.6105 69 E 5.1157 8.5958 124.4953 54.4044 32.5867 174.8897 *71 Q 4.5278 8.3020 119.0120 56.1715 30.4417 174.9400 72 V 4.9830 8.8391 116.3083 59.7665 36.5049 174.3557 73 Q 4.8625 8.7852 122.7596 55.1923 32.9239 174.3993 74 G 3.9556 8.3800 110.6831 47.2341 0.0000 171.8069 75 F 5.5961 7.9086 114.9962 55.1850 40.8815 174.9774 76 L 5.0591 8.9434 120.2655 54.1587 43.0183 175.9924 77 A 4.9095 8.6905 122.8770 49.5683 23.0927 173.9254 78 P 4.6411 0.0000 0.0000 63.2474 31.3253 176.4007 79 A 4.2505 9.1944 124.5988 54.9558 19.0333 177.8632 80 R 4.6213 8.3356 112.3028 54.0675 34.5886 174.5947 81 K 4.0748 8.4493 118.8674 58.6614 32.0865 177.1819 82 D 4.7341 9.0225 122.6501 54.3237 38.1149 174.5611 83 S 4.5050 7.8001 113.8148 57.6964 64.1419 174.5163 84 V 3.7850 8.2061 121.2767 65.1557 32.0129 176.8259 85 K 3.9590 8.0130 121.3386 57.2111 32.7193 176.4527 86 V 4.7935 8.3749 120.0294 60.0677 34.0798 175.3240 87 K 4.7678 9.1844 121.3875 54.5165 36.3990 175.3254 88 L 4.4176 8.8325 126.9840 54.8419 43.4716 175.4225 89 H 4.6496 9.0302 125.2997 54.2638 29.2286 174.7253 90 L 4.4713 8.4532 124.9671 55.0500 41.2095 177.3734 91 Q 4.6560 9.4553 122.2758 56.4555 31.8899 175.6147 92 Q 4.6950 7.8778 115.8775 54.3393 33.5983 174.0471 93 A 5.0609 8.3282 122.7191 50.9970 22.2237 175.8376 94 R 4.7001 8.8111 120.8094 54.3486 34.2312 175.5533 95 R 4.2471 8.5743 121.4115 56.1986 31.2582 177.3867 96 I 4.1565 8.5765 124.3729 60.3544 35.8851 175.2209 97 A 4.1086 8.3641 129.1192 51.8196 19.1301 177.1560 98 G 4.2651 8.3096 109.7115 43.9286 0.0000 172.6576 99 S 4.3964 8.2774 112.4484 56.0090 62.7615 172.9163 *101 G 3.7379 7.9967 115.9101 45.7608 0.0000 170.5207 102 R 4.1527 7.9261 123.7905 56.6623 30.4225 175.0527 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 2 N 8.42 4.80 0.00 2.76 2.85 0.00 0.00 6.69 6.82 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 3 T 8.16 4.67 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 1.23 0.00 0.00 4 L 10.11 4.72 0.00 1.74 1.49 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.79 5.21 0.00 1.87 1.85 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 2.23 2.28 0.00 6 L 8.90 4.81 0.00 1.65 1.41 0.68 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.83 5.00 0.00 3.94 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 8 A 8.41 4.90 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 9 R 8.83 4.79 0.00 1.72 1.80 0.00 3.23 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 10 V 8.56 3.94 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 0.75 0.00 0.00 0.92 0.00 0.00 11 L 8.97 4.22 0.00 1.75 1.69 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.98 4.77 0.00 1.84 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 2.28 2.27 0.00 13 C 8.59 4.89 0.00 2.91 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 14 G 9.10 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.77 3.89 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 *17 R 8.71 4.20 0.00 1.92 1.94 0.00 3.08 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 18 H 8.42 5.50 0.00 2.95 3.15 0.00 5.89 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 9.03 4.23 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 1.28 0.00 0.00 20 P 0.00 4.34 0.00 2.07 2.19 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 21 A 8.00 4.26 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 22 G 8.56 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 23 L 7.87 4.33 0.00 1.84 1.57 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.70 0.00 2.26 1.95 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 25 A 8.79 5.12 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 26 L 8.92 4.62 0.00 1.68 1.42 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.80 4.99 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 28 L 8.96 5.19 0.00 1.53 1.56 0.88 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.55 4.86 0.00 1.74 1.60 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 L 9.02 5.39 0.00 1.65 1.51 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.62 4.87 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 0.87 0.00 0.00 0.93 0.00 0.00 32 H 9.62 5.21 0.00 3.30 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.20 5.20 0.00 1.76 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 2.17 2.24 0.00 34 S 8.79 4.63 0.00 3.85 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 35 E 8.74 5.04 0.00 1.97 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 2.18 2.31 0.00 36 V 8.68 4.65 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 0.75 0.00 0.00 0.94 0.00 0.00 37 V 8.24 4.32 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 0.72 0.00 0.00 0.93 0.00 0.00 38 E 8.41 4.36 0.00 1.89 1.82 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 2.18 2.27 0.00 39 A 9.99 3.66 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 40 G 7.85 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 *43 R 7.68 4.20 0.00 1.94 1.85 0.00 3.17 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 44 R 8.59 5.12 0.00 1.93 1.90 0.00 3.02 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 45 V 9.16 4.63 2.11 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 0.90 0.00 0.00 0.98 0.00 0.00 46 E 8.88 5.21 0.00 1.94 1.94 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 2.15 2.26 0.00 47 L 9.29 4.74 0.00 1.71 1.55 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.61 5.02 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 49 I 8.96 4.62 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 1.20 1.57 0.90 0.00 0.00 50 S 8.79 4.87 0.00 3.79 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 51 A 9.30 5.25 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 52 V 8.62 4.88 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 0.32 0.00 0.00 0.91 0.00 0.00 53 A 8.91 4.96 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.45 4.99 0.00 1.53 1.58 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.95 3.83 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 0.00 0.00 0.00 56 D 8.70 4.37 0.00 2.78 2.73 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 57 L 7.94 3.93 0.00 1.75 1.66 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.89 3.96 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 59 L 7.70 4.06 0.00 1.83 1.73 0.93 0.96 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 60 L 7.84 3.97 0.00 1.61 1.86 0.92 0.94 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 61 L 8.12 4.24 0.00 1.71 1.66 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.13 3.95 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 63 D 8.86 4.43 0.00 2.83 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 64 T 7.49 3.88 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 1.20 0.00 0.00 65 P 0.00 4.33 0.00 2.17 1.98 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 66 L 8.21 4.10 0.00 1.63 1.60 0.91 1.02 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 67 G 9.18 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 68 T 7.39 3.93 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 1.21 0.00 0.00 69 E 8.60 5.12 0.00 1.91 1.85 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 2.33 2.16 0.00 *71 Q 8.30 4.53 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 72 V 8.84 4.98 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 0.70 0.00 0.00 0.98 0.00 0.00 73 Q 8.79 4.86 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 74 G 8.38 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 75 F 7.91 5.60 0.00 3.20 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 76 L 8.94 5.06 0.00 1.62 1.67 0.94 0.57 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 77 A 8.69 4.91 1.29 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 0.00 0.00 0.00 78 P 0.00 4.64 0.00 2.28 2.10 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 79 A 9.19 4.25 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 80 R 8.34 4.62 0.00 1.81 1.78 0.00 3.32 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 81 K 8.45 4.07 0.00 1.75 1.79 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.43 7.81 82 D 9.02 4.73 0.00 2.86 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 83 S 7.80 4.50 0.00 3.99 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 84 V 8.21 3.78 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 0.79 0.00 0.00 0.93 0.00 0.00 85 K 8.01 3.96 0.00 1.88 1.69 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.49 7.81 86 V 8.37 4.79 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 0.77 0.00 0.00 0.93 0.00 0.00 87 K 9.18 4.77 0.00 1.59 1.55 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.33 7.81 88 L 8.83 4.42 0.00 1.69 1.47 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 89 H 9.03 4.65 0.00 1.40 2.24 0.00 5.87 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.45 4.47 0.00 1.46 1.57 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 9.46 4.66 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 92 Q 7.88 4.69 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 93 A 8.33 5.06 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 94 R 8.81 4.70 0.00 1.63 1.78 0.00 3.33 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 95 R 8.57 4.25 0.00 1.69 1.85 0.00 3.20 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 96 I 8.58 4.16 1.87 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 1.16 0.60 0.91 0.00 0.00 97 A 8.36 4.11 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 98 G 8.31 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 0.00 0.00 0.00 0.00 99 S 8.28 4.40 0.00 3.93 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 *101 G 8.00 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 0.00 102 R 7.93 4.15 0.00 1.73 1.74 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.