NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4637 8.2993 120.0850 56.3670 32.1752 174.3880 4 I 4.4014 7.8512 115.3502 58.2363 41.0657 174.6910 5 R 4.6638 9.2503 125.8052 55.4827 32.7752 176.2854 6 I 4.6901 8.1549 125.1811 59.5602 40.9134 173.8556 7 K 4.6005 8.7785 129.6685 55.1956 33.9777 175.3967 8 L 4.9943 8.6502 127.0981 53.0642 43.2412 176.3374 9 R 5.5799 8.3099 123.9199 53.3473 32.9755 175.6726 10 G 4.2672 7.7664 109.9080 45.8248 0.0000 173.0077 11 F 4.9767 7.5018 113.6628 58.5854 39.8017 176.7437 12 D 4.4175 8.1476 124.1661 54.6260 40.0616 175.1502 13 H 4.2336 8.9198 126.4849 59.4489 30.5127 177.1826 14 K 4.3164 7.9688 117.1395 59.2844 32.6205 178.8508 15 T 3.8209 9.8200 113.5926 65.6450 66.8672 175.8880 16 L 4.1272 7.5862 119.6679 57.4513 41.6132 179.0847 17 D 4.4417 8.1659 118.8245 56.1526 40.3558 177.3080 18 A 4.7140 7.6265 119.2067 51.5257 20.6589 177.3318 19 S 4.1385 8.1168 111.6212 61.1048 62.4896 176.1435 20 A 3.9380 7.4815 121.7429 55.2830 18.3191 178.7387 21 Q 3.9898 8.1763 116.2842 59.5674 29.1536 179.1920 22 K 4.1587 7.5865 119.2897 59.1458 32.6194 179.6645 23 I 4.4881 7.4322 119.0255 60.5233 36.6673 177.0060 24 V 4.4467 7.4116 114.9065 63.4019 36.2059 174.0617 25 E 4.2673 8.5834 118.8386 59.1492 30.0230 177.9671 26 A 4.1692 8.0125 117.1027 53.4549 18.3020 177.3055 27 A 5.4102 7.5465 116.4870 50.4766 20.6989 177.9732 28 R 4.1123 7.8326 115.1824 58.2981 30.4186 177.5328 29 R 4.3115 7.1017 117.1533 53.4522 28.4977 175.2491 30 S 4.5480 7.1554 112.5589 58.1713 65.9789 177.6254 31 G 3.6718 8.8354 108.0410 47.6631 0.0000 174.7745 32 A 5.1707 7.6141 123.9909 50.5726 16.3085 177.9777 33 Q 3.9196 8.2186 120.0742 56.2921 29.4347 174.4388 34 V 3.9893 7.0861 121.9423 61.7124 32.9197 172.4839 35 S 4.4079 8.4121 122.9188 59.4891 62.9423 175.3490 36 G 3.8845 8.0229 110.0396 45.1758 0.0000 171.4681 37 P 4.1152 0.0000 0.0000 64.5589 31.4844 172.8968 38 I 3.0091 7.7997 129.2243 59.5219 34.8269 170.9587 39 P 4.7505 0.0000 0.0000 61.9108 31.4081 175.0865 40 L 4.6378 8.0637 128.2495 52.7746 43.1086 174.5803 41 P 4.4533 0.0000 0.0000 63.6803 31.8991 175.8230 42 T 4.6854 8.4930 117.9790 62.6941 71.2142 173.8961 43 R 4.7043 8.2073 122.9766 54.5029 32.3463 176.7724 44 V 4.2995 8.0084 126.8751 61.9350 32.8121 174.2961 45 R 4.2700 8.7030 114.8680 56.6880 37.7400 174.0607 46 R 3.5087 6.9135 116.2715 56.9289 27.1230 175.3912 47 F 4.7503 10.2836 121.5179 56.0167 39.9114 173.8668 48 T 4.7488 8.2745 119.6213 62.2218 69.6666 174.3691 49 V 4.5904 8.0361 124.9681 61.0590 35.6015 174.4270 50 I 4.2068 8.3435 125.7200 61.5656 37.7870 176.9383 51 R 4.0243 8.2680 121.7344 59.2616 29.9472 178.0005 52 G 4.0276 7.7953 106.6280 43.8416 0.0000 172.6791 53 P 4.2304 0.0000 0.0000 64.2392 31.6121 176.2704 54 F 4.6669 7.8914 120.9694 57.9010 42.9805 175.2997 55 K 3.2766 9.0780 125.8025 58.8868 32.7674 175.4861 56 H 4.1001 8.8182 114.0873 55.9822 26.6213 173.4327 57 K 4.0364 7.5493 118.8421 59.0489 31.5389 176.0479 58 D 5.5466 7.7239 134.5904 54.7294 42.4713 177.1164 59 S 4.4779 6.8822 111.5944 54.9900 66.8039 177.5076 60 R 4.3250 8.3089 124.0798 54.6858 27.4298 175.4492 61 E 3.8471 8.8970 123.9615 56.9812 31.2979 171.8530 62 H 5.1069 8.1335 121.7693 54.3894 30.9985 174.4174 63 F 4.9643 8.4207 119.6640 57.4857 42.0031 173.4746 64 E 4.2189 9.4866 123.6415 54.4344 30.1841 176.6173 65 L 4.1396 9.2907 117.3396 54.7330 43.1703 172.1250 66 R 4.5830 8.4116 123.6888 54.8743 33.6736 174.8477 67 T 5.2909 8.3589 121.8086 61.9949 68.7316 174.4570 68 H 4.9540 8.2180 124.0420 55.2499 30.8257 173.5955 69 N 6.0470 8.3616 114.5360 52.6533 43.1808 174.1344 70 R 4.8327 8.4739 118.9047 55.1966 35.2992 173.8007 71 L 5.5767 7.9720 120.4189 52.9380 45.1665 175.1732 72 V 4.4504 8.2839 116.7609 63.2783 37.3725 172.0135 73 D 4.9530 8.0884 131.8271 54.0422 37.5080 172.7644 74 I 4.7394 7.5373 126.9393 58.9883 36.2543 175.5581 75 I 3.7312 7.5525 124.1917 62.3974 37.9596 173.7644 76 N 4.3881 8.6090 122.3288 53.3460 34.9373 173.1434 77 P 4.6166 0.0000 0.0000 61.8717 31.7224 177.7029 78 N 4.3320 8.2165 117.4612 56.5371 36.9342 179.3674 79 R 3.2759 7.7267 116.2641 57.0999 32.4897 178.4684 80 K 3.8974 8.1975 119.1744 60.4094 32.8888 179.0991 81 T 3.7993 8.3831 115.2193 66.9523 68.9153 175.2868 82 I 4.1500 7.1133 114.5569 57.9239 36.2540 173.4674 83 E 4.7925 7.7493 127.9709 57.6705 34.3407 176.7993 84 Q 4.1074 7.8890 118.6372 59.2097 28.2897 178.7458 85 L 4.0569 7.2769 116.4581 53.5640 42.3717 177.6429 86 M 3.0770 7.7808 120.2089 56.0708 32.0949 177.4684 87 T 4.5336 7.9229 123.8997 62.7146 71.4906 174.5069 88 L 4.5765 8.3823 128.8444 53.7977 43.1113 175.6754 89 D 4.4787 8.1003 117.0407 53.7225 40.0016 175.8542 90 L 4.5610 8.3890 119.1127 55.8416 45.1227 175.4985 91 P 4.4257 0.0000 0.0000 63.2815 31.2751 174.0258 92 T 4.3038 7.7297 112.7732 64.8140 70.9123 175.6263 93 G 3.9363 7.9810 113.0730 46.1925 0.0000 172.9389 94 V 4.5719 7.5061 117.7314 60.5722 34.6453 174.3475 95 E 4.7737 8.3572 127.6330 54.4847 32.5040 174.5759 96 I 4.8804 8.2469 125.7390 59.8912 41.5601 174.1293 97 E 4.8827 8.7055 125.2176 54.8935 33.2660 174.6887 98 I 5.2008 7.7258 111.4743 60.6859 39.9856 174.2211 99 K 4.4023 8.4710 127.5762 56.0046 33.7414 176.7222 100 T 3.2575 8.1808 111.1910 61.7554 64.9262 176.5850 *101 V 3.9936 7.6681 122.2554 60.7082 32.3498 176.2815 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 3 K 8.30 4.46 0.00 1.66 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 4 I 7.85 4.40 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 1.25 0.83 0.91 0.00 0.00 5 R 9.25 4.66 0.00 1.91 1.81 0.00 3.11 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 6 I 8.15 4.69 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 1.23 0.94 0.91 0.00 0.00 7 K 8.78 4.60 0.00 1.85 1.66 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.41 7.81 8 L 8.65 4.99 0.00 1.77 1.55 0.93 0.79 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 9 R 8.31 5.58 0.00 1.80 1.81 0.00 3.43 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.40 0.00 10 G 7.77 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 11 F 7.50 4.98 0.00 3.10 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 12 D 8.15 4.42 0.00 2.72 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 13 H 8.92 4.23 0.00 3.15 3.31 0.00 5.76 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.97 4.32 0.00 1.79 1.78 0.00 1.99 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.18 7.81 15 T 9.82 3.82 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 16 L 7.59 4.13 0.00 1.83 1.72 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.17 4.44 0.00 2.86 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 18 A 7.63 4.71 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 19 S 8.12 4.14 0.00 4.11 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 20 A 7.48 3.94 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 21 Q 8.18 3.99 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 22 K 7.59 4.16 0.00 2.10 1.83 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.59 7.81 23 I 7.43 4.49 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 1.41 0.63 0.91 0.00 0.00 24 V 7.41 4.45 2.30 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 0.75 0.00 0.00 0.97 0.00 0.00 25 E 8.58 4.27 0.00 2.08 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 0.00 2.26 2.46 0.00 26 A 8.01 4.17 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 27 A 7.55 5.41 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 28 R 7.83 4.11 0.00 2.07 1.97 0.00 3.37 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 1.64 1.60 0.00 29 R 7.10 4.31 0.00 1.89 1.88 0.00 3.27 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 30 S 7.16 4.55 0.00 3.91 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 31 G 8.84 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 32 A 7.61 5.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.22 3.92 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.00 0.00 0.00 0.00 0.00 0.00 2.54 2.31 0.00 34 V 7.09 3.99 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 0.67 0.00 0.00 0.96 0.00 0.00 35 S 8.41 4.41 0.00 4.10 3.86 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 36 G 8.02 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 37 P 0.00 4.12 0.00 2.19 2.20 0.00 3.88 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 38 I 7.80 3.01 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 1.47 1.36 0.91 0.00 0.00 39 P 0.00 4.75 0.00 2.07 2.10 0.00 3.75 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 1.97 1.96 0.00 40 L 8.06 4.64 0.00 1.63 1.79 0.93 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 41 P 0.00 4.45 0.00 2.12 2.05 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 42 T 8.49 4.69 4.30 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 1.26 0.00 0.00 43 R 8.21 4.70 0.00 1.70 1.84 0.00 3.13 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 44 V 8.01 4.30 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 0.96 0.00 0.00 0.91 0.00 0.00 45 R 8.70 4.27 0.00 1.70 0.80 0.00 3.56 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 46 R 6.91 3.51 0.00 1.86 1.79 0.00 3.13 0.00 0.00 3.05 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 47 F 10.28 4.75 0.00 3.23 3.08 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 0.00 0.00 0.00 48 T 8.27 4.75 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 1.27 0.00 0.00 49 V 8.04 4.59 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 1.06 0.00 0.00 1.03 0.00 0.00 50 I 8.34 4.21 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 1.41 0.52 0.98 0.00 0.00 51 R 8.27 4.02 0.00 1.84 1.98 0.00 3.12 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 52 G 7.80 4.03 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 0.00 0.00 0.00 53 P 0.00 4.23 0.00 2.28 2.25 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 54 F 7.89 4.67 0.00 2.95 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 55 K 9.08 3.28 0.00 2.04 1.93 0.00 1.51 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.81 1.24 7.81 56 H 8.82 4.10 0.00 3.43 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.55 4.04 0.00 1.85 1.88 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.42 7.81 58 D 7.72 5.55 0.00 2.87 2.74 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 59 S 6.88 4.48 0.00 3.74 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 60 R 8.31 4.33 0.00 1.92 1.80 0.00 3.33 0.00 0.00 3.78 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 61 E 8.90 3.85 0.00 2.01 1.77 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 1.64 2.07 0.00 62 H 8.13 5.11 0.00 3.01 3.12 0.00 5.70 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 63 F 8.42 4.96 0.00 3.32 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 64 E 9.49 4.22 0.00 2.05 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 0.00 2.37 2.34 0.00 65 L 9.29 4.14 0.00 1.86 2.25 0.91 0.91 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 66 R 8.41 4.58 0.00 1.68 1.72 0.00 3.46 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 67 T 8.36 5.29 4.30 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 1.21 0.00 0.00 68 H 8.22 4.95 0.00 3.15 3.26 0.00 5.89 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.36 6.05 0.00 2.61 2.66 0.00 0.00 7.38 7.66 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 70 R 8.47 4.83 0.00 1.68 1.76 0.00 3.23 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 71 L 7.97 5.58 0.00 1.43 1.58 0.92 1.04 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 72 V 8.28 4.45 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 0.95 0.00 0.00 0.93 0.00 0.00 73 D 8.09 4.95 0.00 2.91 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 74 I 7.54 4.74 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 1.41 1.14 0.91 0.00 0.00 75 I 7.55 3.73 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 1.41 0.52 0.91 0.00 0.00 76 N 8.61 4.39 0.00 2.90 2.86 0.00 0.00 7.00 8.02 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 77 P 0.00 4.62 0.00 2.17 2.12 0.00 3.79 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 1.98 1.98 0.00 78 N 8.22 4.33 0.00 2.77 2.85 0.00 0.00 7.22 7.66 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 79 R 7.73 3.28 0.00 1.91 1.89 0.00 3.31 0.00 0.00 3.34 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 80 K 8.20 3.90 0.00 1.86 1.87 0.00 1.58 0.00 0.00 1.82 0.00 0.00 3.35 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.54 7.81 81 T 8.38 3.80 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 1.25 0.00 0.00 82 I 7.11 4.15 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 1.27 0.67 0.87 0.00 0.00 83 E 7.75 4.79 0.00 2.04 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 0.00 2.06 2.24 0.00 84 Q 7.89 4.11 0.00 2.17 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.73 0.00 85 L 7.28 4.06 0.00 1.63 1.61 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.78 3.08 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 87 T 7.92 4.53 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 1.25 0.00 0.00 88 L 8.38 4.58 0.00 1.58 1.60 0.92 1.10 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 89 D 8.10 4.48 0.00 2.77 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 90 L 8.39 4.56 0.00 1.59 1.67 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.43 0.00 2.17 2.07 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 92 T 7.73 4.30 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 93 G 7.98 3.94 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 0.00 0.00 0.00 94 V 7.51 4.57 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 0.80 0.00 0.00 0.93 0.00 0.00 95 E 8.36 4.77 0.00 1.79 1.64 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 2.14 2.19 0.00 96 I 8.25 4.88 1.86 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 0.73 0.94 0.00 0.00 97 E 8.71 4.88 0.00 1.90 1.84 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 2.21 2.20 0.00 98 I 7.73 5.20 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 1.21 1.14 0.95 0.00 0.00 99 K 8.47 4.40 0.00 1.73 1.74 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.30 1.40 7.81 100 T 8.18 3.26 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 *101 V 7.67 3.99 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.