NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5463 0.0000 0.0000 62.1412 32.9847 174.8739 2 L 5.2436 7.5505 121.4721 51.4609 44.7159 174.4484 3 R 4.8057 9.0578 118.5542 55.4995 33.8156 174.3094 4 L 4.3680 8.4189 123.2530 54.5705 41.7052 177.2974 *10 L 4.2185 8.4582 125.7253 54.0963 42.4058 175.0934 11 Q 4.9133 9.4753 128.5987 54.4216 32.0022 173.3486 12 Y 5.1903 8.7529 126.6269 55.8767 40.7198 174.6639 13 W 5.0779 7.1899 122.4803 54.1232 31.2437 173.0569 14 P 4.0818 0.0000 0.0000 61.9851 31.5961 176.0460 15 F 4.2103 8.1558 118.0929 57.6485 39.4579 175.5300 16 S 4.3885 8.6975 119.1055 58.1711 63.1926 175.2175 17 S 4.0246 8.6299 121.6616 61.2071 63.1051 176.5255 18 S 4.1222 8.2023 118.4417 61.9437 62.6177 176.4436 19 D 3.6267 7.4520 121.1551 56.9964 40.4939 178.8679 20 L 3.6815 7.0245 118.9127 57.6589 41.6112 178.8454 21 Y 4.3062 7.5688 116.5549 60.5977 37.7269 177.7233 22 N 4.4199 8.0486 117.7661 56.0191 38.3563 177.4523 23 W 4.4330 7.5462 119.0681 59.5935 29.2920 178.2237 24 K 4.1354 8.0581 119.0821 59.8051 31.5784 178.6241 25 N 4.4438 8.6146 115.8608 55.4194 38.4666 175.5516 26 N 4.9812 7.6849 115.5664 52.7931 39.1876 173.8021 27 N 5.0714 7.7670 115.2680 50.8278 42.7589 172.3020 28 P 4.6376 0.0000 0.0000 61.3829 32.7196 175.9128 29 S 4.3270 8.4048 113.0811 58.4495 62.7984 174.5224 30 F 4.2848 8.8142 123.2894 61.3274 39.6127 177.7848 31 S 4.1867 8.3228 116.4942 61.4575 62.7614 175.5313 32 E 4.0297 8.8440 119.5099 59.4882 29.8180 176.9209 33 D 4.5462 7.2585 112.7231 51.5970 43.7836 174.1377 34 P 3.5075 0.0000 0.0000 65.4015 31.2550 178.7726 35 G 3.6124 7.8115 103.9350 47.7420 0.0000 174.1190 36 K 4.0371 8.6029 123.4471 58.0789 31.9113 178.1935 37 L 3.9464 8.0226 119.4559 58.4893 42.0507 179.7709 38 T 3.9606 8.2004 115.4170 66.4558 68.3850 176.6126 39 A 3.9883 8.1771 123.0227 54.7169 18.3350 179.2683 40 L 3.6539 7.7589 118.3631 58.4345 42.1819 179.1028 41 I 3.4472 7.9411 119.9016 64.2454 37.1642 177.9013 42 E 3.8867 8.0697 120.0985 59.3715 29.3387 178.9797 43 S 4.1036 7.8687 112.7648 61.5339 62.5736 176.1870 44 V 3.6395 7.7200 122.4314 65.2580 30.7726 177.8967 45 L 4.0526 8.0045 118.5546 57.8223 41.4076 179.1691 46 T 4.1829 7.5005 114.4790 66.5825 68.1867 177.2920 47 T 3.9268 8.2545 111.7668 64.1270 68.9801 175.5242 48 H 4.6365 8.2493 116.4733 54.5619 30.0687 174.4690 49 Q 3.3464 7.5875 119.9509 56.2953 26.4339 172.3660 50 P 4.2647 0.0000 0.0000 62.6340 32.8568 177.7674 51 T 4.4185 9.0452 112.3595 60.4820 71.4746 175.5059 52 W 3.8606 8.7716 129.2810 60.8444 30.4803 177.3915 53 D 4.2952 8.2821 118.1704 57.3011 40.3563 178.0385 54 D 4.5341 8.0729 119.4217 57.9359 40.8130 178.6372 55 C 4.1120 8.5576 117.1977 63.2472 28.0946 176.3779 56 Q 3.6999 7.7144 119.2551 58.9543 28.0945 179.0016 57 Q 3.9484 8.0574 119.0230 58.6164 28.7732 178.0974 58 L 3.8070 8.3239 120.4653 58.1210 41.8113 179.6914 59 L 3.9896 8.2353 118.7601 57.8818 41.3988 180.0449 60 G 3.5944 8.0225 104.4509 47.6663 0.0000 175.4693 61 T 4.2072 7.9476 117.3525 65.5479 68.9171 176.2650 62 L 4.4977 7.8165 117.6396 53.8337 42.5219 176.3961 63 L 4.9544 7.1035 118.6498 52.1584 45.3545 177.1625 64 T 4.2655 9.0970 113.0286 61.3107 70.9635 175.8313 65 G 3.7759 8.7091 108.7838 48.3013 0.0000 175.7463 66 E 3.9881 8.0886 120.0125 59.3090 29.5093 179.1826 67 E 3.9282 8.0519 118.2563 59.2202 29.5132 179.2156 68 K 3.7451 8.0272 119.6824 59.6104 32.1498 178.6234 69 Q 4.0030 7.9942 119.5648 58.9251 28.9710 177.9500 70 R 3.8192 7.9262 119.7340 59.3915 30.1180 178.2581 71 V 3.6550 7.8759 118.2623 66.3559 31.4109 178.0154 72 L 4.0535 8.2984 118.6609 57.6435 41.4603 179.2034 73 L 3.9358 8.0450 120.3749 58.3813 41.8220 178.9969 74 E 3.9062 8.4616 117.2283 59.1723 29.7630 178.8032 75 A 3.8685 7.9704 121.1061 55.1859 18.1207 179.9812 76 R 3.8840 7.6556 116.6991 58.6680 29.8991 178.3817 77 K 4.8503 7.9533 117.0582 56.6114 33.0330 177.6984 78 A 4.2952 7.3863 120.7494 51.6529 19.5804 178.0562 79 V 3.6954 7.0071 118.3944 63.0391 32.2429 175.1107 80 R 4.8267 8.1977 123.5464 53.9550 33.3541 176.4673 81 G 3.9241 8.4057 110.4887 45.3728 0.0000 173.5062 82 N 4.5134 8.5928 115.5691 54.8326 37.7121 175.4460 83 D 4.5215 8.0548 116.7695 53.3914 39.8540 177.0980 84 G 3.9860 7.8445 108.1634 45.5505 0.0000 174.3948 85 R 4.2317 7.9072 119.1771 54.6750 30.9240 174.5686 86 P 4.7797 0.0000 0.0000 63.7168 31.9782 175.5416 87 T 4.5845 7.7416 112.6218 61.8034 70.4487 173.2709 88 Q 4.5349 8.4050 123.4327 55.2664 30.8401 174.4467 89 L 4.1025 7.7869 119.3038 54.9551 42.0232 176.4326 90 P 4.2669 0.0000 0.0000 65.4995 31.0878 177.6270 91 N 4.6524 8.0976 113.8628 54.1978 37.5156 176.6227 92 E 4.0515 8.0983 122.0641 59.1665 30.2052 178.0248 93 V 3.7837 7.7515 117.7982 66.2495 31.5403 177.3470 94 D 4.5779 8.0924 117.8151 57.6560 40.8149 178.7837 95 A 4.2561 7.8955 120.0531 54.3510 18.4119 178.7219 96 A 4.7544 8.5456 118.5965 52.8624 21.1294 177.3514 97 F 5.1839 7.9816 118.0838 55.5497 39.4553 171.7536 98 P 4.5614 0.0000 0.0000 62.2467 32.1820 177.6140 99 L 4.4785 8.5502 119.9022 56.0759 42.2466 176.5206 100 E 4.6917 7.6148 116.5020 53.6041 32.2612 175.4223 101 R 2.0000 7.7130 120.9542 54.9460 30.1138 174.7808 102 P 3.8690 0.0000 0.0000 62.1532 32.2739 175.5362 103 D 4.6953 7.4939 116.8056 52.3752 39.4231 177.0179 104 W 4.4298 7.4349 118.8083 57.6177 30.3858 175.7789 105 D 4.7325 8.6633 122.6518 52.5910 41.2043 176.2155 106 Y 4.4911 8.2453 125.1018 58.6484 38.4444 176.3974 107 T 4.1422 8.1840 110.9636 62.7467 69.6021 174.6230 108 T 4.6085 7.3071 112.9691 60.1198 72.7857 174.6561 109 T 3.8484 8.2661 116.9429 66.4097 68.4837 176.2910 110 E 4.0021 8.3014 118.9685 59.9657 29.1586 179.5747 111 G 3.9538 8.1427 107.6887 46.6539 0.0000 175.8915 112 R 4.0046 7.7777 120.0995 59.2481 30.1440 178.5970 113 N 4.2114 8.6105 116.3306 57.0541 38.6866 177.1964 114 H 3.6846 7.7974 116.7991 57.8575 28.4437 177.4724 115 L 3.9386 7.0793 122.2649 57.4242 42.2021 178.5151 116 V 3.5973 7.6914 118.2102 66.0227 31.3888 177.7191 117 L 4.1461 7.9196 121.1560 57.8455 41.9838 178.0859 118 Y 4.2833 7.8780 119.2380 60.9931 38.6835 178.5526 119 R 4.0028 8.3956 118.7564 59.3218 30.1777 178.7355 120 Q 4.0084 8.0344 117.8826 59.3386 28.8188 179.4877 121 L 3.9826 8.0477 119.5981 57.5659 41.5410 179.3656 122 L 3.8635 7.9395 120.4222 57.8336 41.9376 178.8807 123 L 3.8663 8.1137 120.1456 58.0545 42.0257 178.3976 124 A 4.2045 8.4880 121.3039 55.6040 18.0785 179.9632 125 G 3.4190 8.3819 104.1439 47.7454 0.0000 176.0474 126 L 4.1251 7.8248 120.6683 57.6394 41.9424 179.2995 127 Q 4.1380 8.4758 118.4100 59.2413 28.5812 178.6680 128 N 4.3693 8.4455 116.1084 55.5502 38.7142 176.0085 129 A 4.4281 7.7897 119.5534 52.5043 19.8723 177.5877 130 G 3.9268 7.8301 109.1068 44.3221 0.0000 175.0217 131 R 4.1567 7.5066 120.7843 56.6031 30.1594 176.8104 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 P 0.00 4.55 0.00 0.49 0.49 0.00 2.53 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.80 0.00 2 L 7.55 5.24 0.00 1.40 1.46 0.77 -0.11 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 3 R 9.06 4.81 0.00 1.97 2.26 0.00 2.73 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 4 L 8.42 4.37 0.00 1.46 1.51 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *10 L 8.46 4.22 0.00 1.72 1.88 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.48 4.91 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 12 Y 8.75 5.19 0.00 2.78 2.92 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 13 W 7.19 5.08 0.00 3.13 2.95 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 14 P 0.00 4.08 0.00 2.25 2.22 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 15 F 8.16 4.21 0.00 3.01 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 16 S 8.70 4.39 0.00 3.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.63 4.02 0.00 4.22 4.15 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 0.00 0.00 0.00 0.00 18 S 8.20 4.12 0.00 3.83 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 19 D 7.45 3.63 0.00 2.34 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 20 L 7.02 3.68 0.00 1.03 1.26 0.67 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.57 4.31 0.00 3.05 2.93 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 22 N 8.05 4.42 0.00 2.51 2.83 0.00 0.00 6.90 6.99 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 23 W 7.55 4.43 0.00 3.46 3.02 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 0.00 0.00 0.00 24 K 8.06 4.14 0.00 1.91 2.08 0.00 2.00 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.55 7.81 25 N 8.61 4.44 0.00 2.79 2.92 0.00 0.00 7.03 7.89 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 26 N 7.68 4.98 0.00 2.86 2.87 0.00 0.00 6.74 8.26 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 27 N 7.77 5.07 0.00 2.75 2.68 0.00 0.00 6.92 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.64 0.00 2.18 2.07 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 29 S 8.40 4.33 0.00 4.06 3.97 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 0.00 0.00 0.00 30 F 8.81 4.28 0.00 3.10 3.26 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 31 S 8.32 4.19 0.00 4.00 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 32 E 8.84 4.03 0.00 2.05 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 2.34 2.26 0.00 33 D 7.26 4.55 0.00 2.58 2.43 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 34 P 0.00 3.51 0.00 1.71 0.96 0.00 3.55 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 1.81 1.71 0.00 35 G 7.81 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 4.04 0.00 2.11 1.64 0.00 1.53 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.65 7.81 37 L 8.02 3.95 0.00 1.92 1.86 1.11 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.20 3.96 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 39 A 8.18 3.99 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 40 L 7.76 3.65 0.00 1.59 1.69 0.74 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.94 3.45 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.44 0.86 0.00 0.00 42 E 8.07 3.89 0.00 2.07 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 0.00 2.29 2.31 0.00 43 S 7.87 4.10 0.00 3.90 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 44 V 7.72 3.64 1.86 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 1.13 0.00 0.00 0.03 0.00 0.00 45 L 8.00 4.05 0.00 1.85 1.75 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.50 4.18 4.37 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 1.23 0.00 0.00 47 T 8.25 3.93 4.31 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 1.25 0.00 0.00 48 H 8.25 4.64 0.00 3.43 3.14 0.00 5.92 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.59 3.35 0.00 2.37 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 50 P 0.00 4.26 0.00 2.24 2.10 0.00 3.94 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 2.07 2.05 0.00 51 T 9.05 4.42 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 1.27 0.00 0.00 52 W 8.77 3.86 0.00 3.10 2.98 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 53 D 8.28 4.30 0.00 2.80 2.77 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 54 D 8.07 4.53 0.00 2.94 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.56 4.11 0.00 3.00 3.07 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 56 Q 7.71 3.70 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 1.35 1.27 0.00 57 Q 8.06 3.95 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 58 L 8.32 3.81 0.00 1.90 1.68 0.87 0.40 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 59 L 8.24 3.99 0.00 1.58 1.63 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.02 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 0.00 0.00 0.00 61 T 7.95 4.21 4.12 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 0.00 0.00 0.00 0.98 0.00 0.00 62 L 7.82 4.50 0.00 1.58 1.71 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.10 4.95 0.00 1.65 1.39 0.59 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 64 T 9.10 4.27 4.33 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 1.31 0.00 0.00 65 G 8.71 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 0.00 0.00 0.00 66 E 8.09 3.99 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 2.41 2.47 0.00 67 E 8.05 3.93 0.00 2.12 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 2.45 2.35 0.00 68 K 8.03 3.75 0.00 1.76 1.90 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.39 7.81 69 Q 7.99 4.00 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 70 R 7.93 3.82 0.00 2.08 2.04 0.00 3.25 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 71 V 7.88 3.66 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 0.96 0.00 0.00 0.60 0.00 0.00 72 L 8.30 4.05 0.00 1.95 1.86 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.04 3.94 0.00 1.93 1.92 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.46 3.91 0.00 2.11 1.93 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 2.47 2.46 0.00 75 A 7.97 3.87 0.19 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 76 R 7.66 3.88 0.00 2.14 2.02 0.00 3.42 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 77 K 7.95 4.85 0.00 1.91 1.89 0.00 1.58 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.27 7.81 78 A 7.39 4.30 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 79 V 7.01 3.70 2.19 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 1.00 0.00 0.00 1.03 0.00 0.00 80 R 8.20 4.83 0.00 1.78 1.84 0.00 3.26 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 81 G 8.41 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 82 N 8.59 4.51 0.00 2.82 2.96 0.00 0.00 5.92 8.06 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 83 D 8.05 4.52 0.00 2.79 2.81 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 0.00 0.00 0.00 84 G 7.84 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 85 R 7.91 4.23 0.00 2.03 1.85 0.00 3.30 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 86 P 0.00 4.78 0.00 2.03 2.00 0.00 3.72 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 2.03 2.08 0.00 87 T 7.74 4.58 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 1.26 0.00 0.00 88 Q 8.40 4.53 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 89 L 7.79 4.10 0.00 1.68 1.67 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.27 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 91 N 8.10 4.65 0.00 3.02 3.08 0.00 0.00 5.92 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 92 E 8.10 4.05 0.00 2.13 2.05 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 2.33 2.39 0.00 93 V 7.75 3.78 2.16 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 1.11 0.00 0.00 1.04 0.00 0.00 94 D 8.09 4.58 0.00 2.84 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 95 A 7.90 4.26 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.55 4.75 1.50 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 0.00 0.00 97 F 7.98 5.18 0.00 3.05 3.07 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 98 P 0.00 4.56 0.00 2.15 2.03 0.00 4.23 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 99 L 8.55 4.48 0.00 1.75 1.89 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.61 4.69 0.00 1.74 1.68 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 2.19 2.15 0.00 101 R 7.71 2.00 0.00 1.24 1.40 0.00 3.07 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.99 0.00 102 P 0.00 3.87 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.49 4.70 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 0.00 104 W 7.43 4.43 0.00 3.43 3.01 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 0.00 105 D 8.66 4.73 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.25 4.49 0.00 3.15 3.15 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 0.00 0.00 0.00 0.00 107 T 8.18 4.14 4.17 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 0.99 0.00 0.00 108 T 7.31 4.61 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 109 T 8.27 3.85 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 0.00 110 E 8.30 4.00 0.00 2.19 2.25 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 2.38 2.37 0.00 111 G 8.14 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 0.00 0.00 0.00 112 R 7.78 4.00 0.00 2.10 2.00 0.00 3.19 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 113 N 8.61 4.21 0.00 2.57 2.77 0.00 0.00 7.13 8.07 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 0.00 114 H 7.80 3.68 0.00 2.61 1.31 0.00 5.60 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.08 3.94 0.00 1.91 1.74 1.23 0.92 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 0.00 116 V 7.69 3.60 2.17 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 0.93 0.00 0.00 0.98 0.00 0.00 117 L 7.92 4.15 0.00 1.84 1.75 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 7.88 4.28 0.00 3.53 3.32 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 0.00 119 R 8.40 4.00 0.00 1.97 2.02 0.00 3.26 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.12 0.00 120 Q 8.03 4.01 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 121 L 8.05 3.98 0.00 1.82 1.31 1.08 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.94 3.86 0.00 1.91 1.86 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.11 3.87 0.00 1.79 1.83 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.49 4.20 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 0.00 125 G 8.38 3.42 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 0.00 126 L 7.82 4.13 0.00 1.84 1.89 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.48 4.14 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 128 N 8.45 4.37 0.00 2.66 2.87 0.00 0.00 7.08 7.07 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 0.00 129 A 7.79 4.43 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 0.00 130 G 7.83 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 0.00 131 R 7.51 4.16 0.00 1.80 1.63 0.00 3.30 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 1.45 1.17 0.00 * Residues marked with a * may have inaccurate shift predictions.