NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8755 8.1633 120.6338 55.7690 33.7860 174.0452 2 E 4.6455 9.1092 126.0544 53.1939 31.4277 174.6492 3 R 4.1631 8.5563 122.1131 58.4607 31.4164 176.5743 4 G 4.0527 9.3122 113.6243 44.9447 0.0000 172.7845 5 E 4.8179 8.1157 119.7104 56.1106 31.2978 175.5920 6 I 5.0296 8.8742 124.9473 59.8273 39.3318 174.8036 7 W 5.1413 9.4144 126.6614 54.7015 33.0856 174.1319 8 L 5.0708 9.0165 126.6610 54.1467 43.0656 175.7155 9 V 4.8179 8.5580 124.7506 60.3020 35.3064 173.3947 10 S 4.7520 8.6840 118.2108 58.5602 62.3507 173.7046 11 L 4.4462 8.8911 127.2167 55.5827 41.8875 177.1674 12 D 4.6159 7.7169 118.4127 53.2048 41.6280 173.9705 13 P 4.5993 0.0000 0.0000 62.2620 32.2869 175.5002 14 T 4.6828 8.0973 109.5570 59.9474 72.3344 172.5256 15 A 4.7696 8.8747 123.8287 51.3254 22.2850 177.3286 16 G 3.6676 8.1429 110.0912 47.5305 0.0000 174.4714 17 H 4.6227 8.8324 120.9408 55.5731 28.7722 175.0855 18 E 4.1172 7.8986 120.0170 56.0935 29.8416 177.0996 19 Q 4.1457 8.4985 121.1305 56.3421 29.3130 175.5917 20 Q 4.4419 8.0933 117.6290 55.0603 32.0951 174.6263 21 G 3.8209 9.4388 105.6110 44.9339 0.0000 171.9223 22 T 5.0143 8.0856 115.3618 62.2339 69.4034 174.8470 23 R 4.7343 8.6837 122.2495 54.0917 33.7683 172.6208 24 P 5.0788 0.0000 0.0000 62.8778 32.6094 176.1366 25 V 4.8978 9.1421 115.8905 59.5997 36.5250 173.9854 26 L 5.1363 8.8702 125.6518 53.4341 44.1875 175.4892 27 I 4.2534 8.8863 128.2666 61.5377 37.5499 176.7782 28 V 4.0031 8.7812 127.5242 64.0672 32.6198 176.4134 29 T 4.1533 7.6114 109.0647 59.8005 70.1812 173.1646 30 P 4.5267 0.0000 0.0000 61.7359 33.5018 177.4044 31 A 4.6417 8.8827 122.3212 54.9068 18.1036 180.0057 32 A 3.9286 7.9937 118.4571 55.2661 18.5755 179.2806 33 F 3.9742 8.3127 118.6873 61.7563 38.9095 176.9648 34 N 4.4464 8.5939 116.1619 56.1211 38.0523 177.5188 35 R 3.8479 8.0010 119.5160 59.3907 30.3457 178.4071 36 V 3.6556 7.6860 117.0301 66.1259 31.6255 177.5433 37 T 4.0120 7.7391 110.0897 62.3505 69.0117 176.2137 38 R 3.9710 7.8073 117.0647 56.7536 27.8133 180.6156 39 L 5.4454 8.0015 117.0481 52.1064 41.5515 174.5670 40 P 4.7670 0.0000 0.0000 62.3612 33.3595 176.5471 41 V 4.6159 8.4183 121.7381 62.1813 32.9858 175.2599 42 V 5.0440 8.8871 120.1935 59.6575 36.2873 174.7354 43 V 4.7915 8.5139 115.4637 58.9650 34.8741 173.7410 44 P 4.8173 0.0000 0.0000 62.4694 33.2930 174.7008 45 V 4.8581 8.3735 121.8867 61.7151 32.9403 174.9748 46 T 4.8867 8.7343 117.3135 59.2187 72.8157 173.0979 47 S 4.4152 8.6540 119.4588 59.0982 63.2866 174.6778 *53 R 4.1451 8.4576 122.6758 55.5088 30.7432 171.8728 54 T 4.1389 8.3323 116.5903 63.9690 69.1969 174.0589 55 A 4.4538 9.3253 127.7593 52.1899 23.5124 175.7563 56 G 3.5971 8.3099 112.4128 47.2260 0.0000 175.4126 57 F 4.3098 8.8038 122.5243 57.9891 39.3584 174.1534 58 A 5.0203 8.1960 124.8531 50.9224 20.1415 176.3626 59 V 4.4654 8.5064 123.5511 61.2061 33.5688 175.0717 60 S 4.7220 8.8353 123.9166 58.5118 62.6419 173.8777 61 L 4.4120 8.5846 125.6507 55.3675 41.9385 176.8851 62 D 4.3909 8.0103 119.2139 55.1397 41.7280 176.0242 63 G 3.9805 9.0129 111.0735 46.0598 0.0000 174.2728 64 V 4.3386 7.4263 115.2251 60.9986 32.3007 176.1841 65 G 3.9010 8.5189 106.4501 46.1572 0.0000 173.8200 66 I 4.1901 7.3813 120.1574 60.4935 38.0540 176.0981 67 R 4.0474 9.1357 126.1181 59.3249 30.2360 177.5003 68 T 3.9323 8.3649 114.6041 63.9967 68.8340 173.6451 69 T 4.5628 8.1156 115.2878 60.1635 72.1268 173.1525 70 G 3.9866 8.5587 105.3300 44.0204 0.0000 172.7691 71 V 4.9987 8.6512 113.1382 59.5295 36.2387 175.1380 72 V 4.2997 8.8555 124.3204 62.3195 33.0651 175.5446 73 R 4.8156 8.9442 128.3710 55.3271 29.0608 176.9921 74 C 4.3653 9.1601 121.2309 61.3595 28.5063 174.5484 75 D 4.0499 7.8471 117.7842 53.6373 39.8606 176.0275 76 Q 4.7729 7.5714 118.3064 54.5849 27.9654 174.0580 77 P 4.7058 0.0000 0.0000 63.2861 32.8905 177.2438 78 R 4.6301 8.9067 121.1445 55.4746 34.0838 173.6591 79 T 4.9901 8.5371 123.1019 62.6120 69.5026 174.1111 80 I 4.5880 8.5888 119.5315 58.5518 41.9066 174.6638 81 D 4.8235 8.5299 123.0810 53.0843 40.4165 176.3668 82 M 3.9660 8.3074 128.1079 58.8396 32.4025 178.3502 83 K 4.0050 7.9462 122.9442 59.8651 31.8368 180.6569 84 A 4.2644 8.2832 121.1916 54.6604 18.3688 179.1152 85 R 4.2600 7.8774 114.1230 55.9329 30.5054 176.7973 86 G 3.8796 8.0943 107.0662 46.1901 0.0000 174.4568 87 G 4.1334 8.2935 108.5665 46.7911 0.0000 174.7038 88 K 4.7478 9.0906 124.5606 52.8016 35.7226 176.2597 89 R 2.6234 7.5104 125.6835 55.2280 30.0106 175.3976 90 L 4.4211 8.4106 127.0192 55.6986 43.1081 176.0805 91 E 4.6994 7.1648 113.6702 56.0151 32.5758 173.6928 92 R 5.1024 8.5100 119.0956 54.6974 32.7098 175.3275 93 V 4.1941 8.6280 119.3082 59.7428 33.0828 174.6595 94 P 4.4405 0.0000 0.0000 62.4674 32.1030 177.4869 95 E 4.0196 8.8671 120.5187 59.7382 29.3853 179.7890 96 T 3.8638 7.9135 109.3902 65.0283 68.6383 176.3819 97 I 3.7006 7.6689 122.3541 64.1393 37.1688 177.9066 98 M 4.0266 8.0023 118.9648 58.7967 32.0200 178.0446 99 N 4.3747 8.6271 117.0831 56.1888 38.6422 177.3316 100 E 3.9654 8.1488 119.8992 59.2117 29.5188 179.4779 101 V 3.5884 7.9907 118.3824 66.1385 31.5753 178.1194 102 L 4.1561 8.3758 119.2298 57.4983 41.1541 179.6392 103 G 3.6765 7.9727 104.9908 48.0271 0.0000 175.7048 104 R 4.0268 7.9744 121.0900 58.6590 30.1928 178.7639 105 L 4.2293 8.4240 120.8725 58.3880 42.0377 179.0947 106 S 4.2165 8.5227 114.6113 61.6249 62.8418 176.2357 107 T 4.2564 8.2557 113.9699 62.8858 68.3978 176.1841 108 I 3.9582 7.9270 115.7350 63.0959 37.6754 176.9388 109 L 4.4802 7.6097 119.0750 54.9802 42.0107 176.4763 110 T 4.0727 7.7064 121.6437 63.8413 68.3956 174.0500 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 M 8.16 4.88 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 2 E 9.11 4.65 0.00 2.21 1.89 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 2.33 2.51 0.00 3 R 8.56 4.16 0.00 1.90 1.87 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 4 G 9.31 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.12 4.82 0.00 2.43 2.21 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 2.42 2.50 0.00 6 I 8.87 5.03 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 1.29 0.64 0.99 0.00 0.00 7 W 9.41 5.14 0.00 3.19 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 8 L 9.02 5.07 0.00 1.76 1.56 0.92 0.68 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 9 V 8.56 4.82 2.20 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 0.63 0.00 0.00 0.97 0.00 0.00 10 S 8.68 4.75 0.00 3.93 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 11 L 8.89 4.45 0.00 1.65 1.70 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.72 4.62 0.00 2.77 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 13 P 0.00 4.60 0.00 2.03 1.96 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 14 T 8.10 4.68 4.43 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 1.26 0.00 0.00 15 A 8.87 4.77 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 16 G 8.14 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.83 4.62 0.00 3.16 3.32 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.90 4.12 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 19 Q 8.50 4.15 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 20 Q 8.09 4.44 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 21 G 9.44 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 22 T 8.09 5.01 4.26 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 1.24 0.00 0.00 23 R 8.68 4.73 0.00 1.87 2.00 0.00 2.79 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 24 P 0.00 5.08 0.00 2.13 2.04 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 25 V 9.14 4.90 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 0.76 0.00 0.00 1.06 0.00 0.00 26 L 8.87 5.14 0.00 1.75 1.54 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.89 4.25 2.05 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.62 0.91 0.00 0.00 28 V 8.78 4.00 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 0.70 0.00 0.00 0.91 0.00 0.00 29 T 7.61 4.15 3.76 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 0.50 0.00 0.00 30 P 0.00 4.53 0.00 2.22 2.01 0.00 3.43 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 31 A 8.88 4.64 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 32 A 7.99 3.93 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 33 F 8.31 3.97 0.00 3.08 3.19 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 34 N 8.59 4.45 0.00 2.94 2.84 0.00 0.00 6.71 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.00 3.85 0.00 1.94 2.13 0.00 3.27 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 36 V 7.69 3.66 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 0.79 0.00 0.00 0.96 0.00 0.00 37 T 7.74 4.01 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 0.26 0.00 0.00 38 R 7.81 3.97 0.00 2.03 1.92 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 39 L 8.00 5.45 0.00 1.40 1.57 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.77 0.00 2.01 2.19 0.00 3.95 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.57 0.00 41 V 8.42 4.62 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 0.96 0.00 0.00 0.91 0.00 0.00 42 V 8.89 5.04 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 0.63 0.00 0.00 0.96 0.00 0.00 43 V 8.51 4.79 2.24 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 0.75 0.00 0.00 1.00 0.00 0.00 44 P 0.00 4.82 0.00 2.12 2.17 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 45 V 8.37 4.86 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 0.89 0.00 0.00 0.96 0.00 0.00 46 T 8.73 4.89 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 1.28 0.00 0.00 47 S 8.65 4.42 0.00 3.90 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 *53 R 8.46 4.15 0.00 1.88 1.80 0.00 3.28 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 54 T 8.33 4.14 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 1.32 0.00 0.00 55 A 9.33 4.45 1.22 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 56 G 8.31 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 57 F 8.80 4.31 0.00 3.10 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 58 A 8.20 5.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.51 4.47 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 0.85 0.00 0.00 0.95 0.00 0.00 60 S 8.84 4.72 0.00 3.92 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 61 L 8.58 4.41 0.00 1.68 1.70 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.01 4.39 0.00 2.64 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 63 G 9.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.43 4.34 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 0.83 0.00 0.00 0.93 0.00 0.00 65 G 8.52 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 0.00 0.00 0.00 66 I 7.38 4.19 2.02 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 1.30 0.59 1.09 0.00 0.00 67 R 9.14 4.05 0.00 1.76 2.09 0.00 3.26 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 68 T 8.36 3.93 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 1.23 0.00 0.00 69 T 8.12 4.56 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 1.24 0.00 0.00 70 G 8.56 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 71 V 8.65 5.00 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 0.71 0.00 0.00 0.98 0.00 0.00 72 V 8.86 4.30 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 0.97 0.00 0.00 0.95 0.00 0.00 73 R 8.94 4.82 0.00 1.76 2.03 0.00 3.37 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 74 C 9.16 4.37 0.00 3.34 3.13 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 75 D 7.85 4.05 0.00 2.13 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 76 Q 7.57 4.77 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.92 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 77 P 0.00 4.71 0.00 2.03 2.01 0.00 3.77 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 78 R 8.91 4.63 0.00 1.84 1.73 0.00 3.07 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 79 T 8.54 4.99 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 1.27 0.00 0.00 80 I 8.59 4.59 1.84 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 1.07 0.76 0.90 0.00 0.00 81 D 8.53 4.82 0.00 2.70 2.59 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 82 M 8.31 3.97 0.00 1.81 1.71 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.49 0.00 83 K 7.95 4.00 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.07 7.81 84 A 8.28 4.26 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.88 4.26 0.00 1.83 2.00 0.00 3.24 0.00 0.00 3.44 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 86 G 8.09 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.29 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 0.00 0.00 0.00 88 K 9.09 4.75 0.00 1.41 1.63 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.21 7.81 89 R 7.51 2.62 0.00 0.67 1.10 0.00 2.98 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.96 0.00 90 L 8.41 4.42 0.00 1.54 1.62 0.91 0.83 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 91 E 7.16 4.70 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 92 R 8.51 5.10 0.00 1.81 1.80 0.00 3.27 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.82 0.00 93 V 8.63 4.19 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 0.73 0.00 0.00 0.95 0.00 0.00 94 P 0.00 4.44 0.00 2.18 1.97 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 95 E 8.87 4.02 0.00 1.98 2.01 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 2.41 2.33 0.00 96 T 7.91 3.86 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 97 I 7.67 3.70 2.02 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 1.53 0.83 0.92 0.00 0.00 98 M 8.00 4.03 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 99 N 8.63 4.37 0.00 2.92 2.85 0.00 0.00 7.02 7.20 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 0.00 100 E 8.15 3.97 0.00 2.25 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 2.32 2.31 0.00 101 V 7.99 3.59 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 1.09 0.00 0.00 0.95 0.00 0.00 102 L 8.38 4.16 0.00 1.71 1.70 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.97 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 0.00 104 R 7.97 4.03 0.00 1.94 2.03 0.00 3.41 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 105 L 8.42 4.23 0.00 1.80 1.79 1.00 0.78 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 0.00 106 S 8.52 4.22 0.00 4.08 4.26 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 0.00 107 T 8.26 4.26 4.26 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 1.23 0.00 0.00 108 I 7.93 3.96 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 1.80 0.60 0.89 0.00 0.00 109 L 7.61 4.48 0.00 1.75 1.75 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.71 4.07 4.34 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.