NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4884 8.1749 117.3743 63.7340 70.0895 173.0912 2 T 4.5496 8.9995 121.1864 60.1735 72.1655 171.3931 3 I 5.1745 9.2848 121.0689 59.2134 41.1151 174.7817 4 V 4.6465 8.9697 116.9200 59.7859 36.5128 174.5278 5 G 4.4708 8.5604 108.3331 44.6637 0.0000 172.2288 6 V 4.5824 9.0918 124.2908 61.0973 34.8527 174.2918 7 K 4.8941 8.8447 127.5417 55.4413 33.6430 175.8707 8 F 5.0914 8.3670 118.1980 54.1693 40.9571 175.4438 9 N 4.3435 9.0683 117.8650 55.9633 36.6244 175.1408 10 N 4.8865 7.6266 116.8202 51.5294 39.9395 174.2635 11 G 3.4423 5.9894 104.2938 45.5596 0.0000 172.3441 12 V 4.9868 7.6440 118.3235 60.3299 34.5339 174.5222 13 V 4.7720 9.1766 122.1019 59.9563 34.7682 174.3439 14 I 5.2105 8.3705 115.0372 59.3356 40.5101 174.0658 15 A 4.9105 8.7778 124.7335 50.8420 23.0900 174.3813 16 A 5.6710 8.4807 118.9971 51.6671 22.5139 175.7869 17 D 4.7915 8.4997 119.7226 52.7731 41.7570 176.2561 18 T 4.8287 8.2380 105.4031 60.4711 70.3824 173.1019 19 R 4.6555 8.0372 123.3385 56.0355 31.2266 175.4400 20 S 4.9378 9.1059 121.2669 56.6488 65.0384 172.6989 21 T 5.1753 8.5648 116.0820 60.0966 72.1488 173.6996 22 Q 4.3811 9.2405 123.3960 53.6579 30.5551 177.1516 23 G 3.8400 8.7822 117.7662 46.3515 0.0000 171.0094 24 P 4.7049 0.0000 0.0000 62.0065 31.7296 174.5104 25 I 4.2361 7.5747 121.0783 59.8822 38.5126 175.1839 26 V 4.3099 8.2158 124.7094 61.9336 31.0692 175.6673 27 A 4.0489 8.6573 131.2043 54.5151 18.7329 176.6733 28 D 4.8744 7.8063 116.0002 52.3781 42.6687 176.7546 29 K 4.1697 8.6569 125.7179 58.2998 33.0993 176.9584 30 N 5.2249 8.2849 117.6917 52.4895 37.8379 173.1300 31 C 4.5943 8.9137 117.4435 57.6774 32.7908 174.1539 32 A 4.9106 8.4125 121.3831 50.6736 19.7455 176.9813 33 K 4.2373 8.7946 121.1972 57.1329 33.7643 176.5074 34 L 4.6405 7.8669 120.8710 54.1616 41.9697 175.7133 35 H 4.9313 9.3319 122.0324 54.1080 31.8356 173.8859 36 R 3.6287 7.8868 120.2650 54.6800 30.9965 175.9069 37 I 4.0298 8.4058 127.1256 62.8631 38.4191 175.5806 38 S 4.5474 7.3912 112.2731 56.4427 65.4394 173.4702 39 P 4.2973 0.0000 0.0000 65.5429 31.1320 178.1740 40 K 4.7626 8.1222 115.3856 56.0004 32.7229 175.4338 41 I 4.8756 8.0839 120.3934 59.8320 40.4043 174.8014 42 W 5.0672 9.3424 127.3652 55.2393 32.2048 174.9240 43 C 5.4822 9.6421 120.4947 57.9790 35.2190 172.5159 44 A 5.5164 8.3243 124.3546 49.3330 22.2353 175.3613 45 G 4.6554 8.7426 107.1884 44.6468 0.0000 170.8458 46 A 4.7514 9.2636 121.2449 50.7547 23.3619 176.0563 47 G 3.9269 8.7412 103.8388 44.4367 0.0000 172.7227 48 T 3.7884 8.1623 117.0596 64.0381 68.6984 174.5175 49 A 3.9898 8.9955 128.8681 55.4701 18.2947 178.6394 50 A 3.9293 8.1276 118.3454 55.6198 18.1954 179.5414 51 D 4.2326 7.9050 116.8655 57.7818 41.1061 178.9556 52 T 3.8604 7.9978 110.2868 64.5239 68.5485 176.3288 53 E 3.6841 8.3598 122.0703 58.9930 29.7465 178.6124 54 A 3.9398 8.1775 121.3640 55.1790 18.4677 180.0560 55 V 3.5450 7.9950 117.8827 65.1323 31.4673 178.7529 56 T 3.8420 7.7185 115.9983 66.4495 68.1897 176.4871 57 Q 4.0199 7.8323 119.8758 58.1243 28.8609 178.1546 58 L 3.8508 7.8286 121.5039 58.3839 42.2401 179.2133 59 I 3.7932 7.7635 119.8689 64.0398 36.9958 178.6259 60 G 3.6091 7.9065 106.7569 48.2605 0.0000 175.6612 61 S 4.0628 8.3929 116.1882 61.1921 62.3716 176.0327 62 N 4.3775 8.2564 119.1773 56.2772 38.1903 177.5017 63 I 3.7040 8.3044 121.7157 64.1413 37.0681 178.0303 64 E 3.8974 8.1022 120.0325 59.4507 29.4960 178.8409 65 L 3.9979 7.9345 118.9597 58.0721 41.5750 179.1331 66 H 4.1262 8.6505 118.5728 59.1680 29.8394 177.1711 67 S 4.2961 8.4255 116.7000 60.9054 62.0173 176.1506 68 L 4.0046 7.9537 120.3846 57.9758 41.4392 178.6165 69 Y 4.0355 8.1403 118.7432 60.4560 38.9219 177.3546 70 T 4.3160 8.2712 107.7826 60.8406 69.7920 174.4505 71 S 3.8052 8.1169 116.8447 59.8019 61.3984 172.2143 72 R 4.7524 7.5004 115.7927 53.9809 34.1132 175.0881 73 E 4.2371 8.6161 119.8918 55.6390 30.1252 175.5597 74 P 4.4122 0.0000 0.0000 62.8708 32.3859 175.9906 75 R 4.8252 8.1893 120.2379 54.2913 32.7313 177.5262 76 V 3.6213 9.0948 121.6573 66.3508 31.4700 179.0981 77 V 3.6840 7.8172 111.4954 64.2726 31.2154 178.7143 78 S 4.0388 7.8886 114.5194 61.5199 62.7505 176.3204 79 A 3.9488 7.9709 122.9837 55.0440 18.0957 179.3174 80 L 3.8845 8.0223 118.7764 58.3599 42.2298 179.0598 81 Q 3.9567 8.2493 119.6476 59.4204 28.7260 178.0052 82 M 4.0709 8.3445 120.1067 58.2017 31.8797 178.7745 83 L 4.0362 8.0385 119.3297 57.6818 41.8785 179.6411 84 K 3.9899 8.0884 118.7149 60.3344 32.5682 179.1591 85 Q 4.2548 8.1727 119.0646 58.3720 28.2916 178.3183 86 H 4.3062 7.8103 118.7710 59.3469 30.3419 176.9397 87 L 4.1520 8.2714 121.1109 57.7833 41.4285 179.3503 88 F 4.0837 8.8282 121.1290 61.1040 39.1246 177.0497 89 K 3.9079 8.0529 118.1683 58.9549 32.0232 177.0577 90 Y 4.2356 7.6107 115.6751 57.8853 38.6366 175.9352 91 Q 2.8701 7.6524 117.2304 56.9505 26.5936 176.2162 *93 G 3.9643 7.6999 105.6456 45.3443 0.0000 174.5750 94 H 4.0096 8.8743 117.9437 57.4566 28.7935 175.5359 95 I 4.2524 6.9653 120.5664 59.4231 37.2273 177.3808 96 G 4.0592 8.8914 119.7723 45.8416 0.0000 171.4942 97 A 5.0785 7.4424 120.0319 50.4124 21.2956 177.6279 98 Y 4.6606 8.6029 120.0698 56.2333 41.3895 174.8464 99 L 5.3765 8.6820 122.7021 53.1437 46.8143 175.7597 100 I 4.6302 8.7033 121.8372 59.6027 39.8350 174.9057 101 V 4.9894 8.5702 126.6898 59.8649 33.3363 174.9556 102 A 4.8171 9.3630 125.4943 49.8021 23.0337 175.1736 103 G 4.3522 7.6948 108.2445 45.9368 0.0000 172.4493 104 V 4.5624 8.0759 112.4279 59.6283 34.7831 176.1280 105 D 4.2476 8.4100 120.9294 53.9977 38.8207 175.1037 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 T 8.17 4.49 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 1.23 0.00 0.00 2 T 9.00 4.55 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 3 I 9.28 5.17 1.90 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 1.37 0.69 0.93 0.00 0.00 4 V 8.97 4.65 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 0.75 0.00 0.00 0.94 0.00 0.00 5 G 8.56 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.09 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 1.12 0.00 0.00 0.96 0.00 0.00 7 K 8.84 4.89 0.00 1.67 1.65 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.36 7.81 8 F 8.37 5.09 0.00 3.17 3.12 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 0.00 9 N 9.07 4.34 0.00 2.89 3.13 0.00 0.00 5.69 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.63 4.89 0.00 2.70 2.94 0.00 0.00 6.83 7.98 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 11 G 5.99 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 4.99 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 0.70 0.00 0.00 1.00 0.00 0.00 13 V 9.18 4.77 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 1.12 0.00 0.00 0.93 0.00 0.00 14 I 8.37 5.21 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.96 0.00 0.00 15 A 8.78 4.91 1.21 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 0.00 0.00 0.00 0.00 0.00 16 A 8.48 5.67 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 17 D 8.50 4.79 0.00 2.70 2.72 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 18 T 8.24 4.83 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 1.22 0.00 0.00 19 R 8.04 4.66 0.00 1.80 2.04 0.00 3.20 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 20 S 9.11 4.94 0.00 3.91 3.87 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 0.00 0.00 0.00 0.00 21 T 8.56 5.18 4.35 0.00 0.00 0.00 0.00 0.00 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 Q 9.24 4.38 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.68 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 23 G 8.78 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 24 P 0.00 4.70 0.00 2.18 2.14 0.00 3.84 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 1.91 1.96 0.00 25 I 7.57 4.24 1.97 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 1.18 0.83 0.91 0.00 0.00 26 V 8.22 4.31 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 27 A 8.66 4.05 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 28 D 7.81 4.87 0.00 2.70 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 29 K 8.66 4.17 0.00 1.79 1.85 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.43 7.81 30 N 8.28 5.22 0.00 2.70 2.69 0.00 0.00 7.15 7.27 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 31 C 8.91 4.59 0.00 3.05 3.21 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 0.00 0.00 0.00 32 A 8.41 4.91 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 33 K 8.79 4.24 0.00 1.73 1.84 0.00 1.84 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.48 7.81 34 L 7.87 4.64 0.00 1.63 1.95 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.33 4.93 0.00 2.97 3.08 0.00 5.59 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.89 3.63 0.00 0.67 1.20 0.00 3.07 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.60 0.00 37 I 8.41 4.03 1.95 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 1.29 0.97 0.86 0.00 0.00 38 S 7.39 4.55 0.00 3.94 3.89 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 39 P 0.00 4.30 0.00 2.12 2.27 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 40 K 8.12 4.76 0.00 1.86 1.85 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.51 7.81 41 I 8.08 4.88 1.88 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 1.28 0.83 1.00 0.00 0.00 42 W 9.34 5.07 0.00 3.28 3.22 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 43 C 9.64 5.48 0.00 2.92 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 44 A 8.32 5.52 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 45 G 8.74 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.26 4.75 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 47 G 8.74 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 48 T 8.16 3.79 4.38 0.00 0.00 0.00 0.00 0.00 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 49 A 9.00 3.99 1.34 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 0.00 0.00 0.00 50 A 8.13 3.93 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 51 D 7.91 4.23 0.00 2.95 2.68 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 52 T 8.00 3.86 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 1.39 0.00 0.00 53 E 8.36 3.68 0.00 2.11 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 0.00 2.25 2.30 0.00 54 A 8.18 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 55 V 7.99 3.55 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 0.81 0.00 0.00 0.88 0.00 0.00 56 T 7.72 3.84 4.39 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 1.13 0.00 0.00 57 Q 7.83 4.02 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 58 L 7.83 3.85 0.00 1.76 1.68 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.76 3.79 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.19 0.87 0.00 0.00 60 G 7.91 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 61 S 8.39 4.06 0.00 3.88 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 62 N 8.26 4.38 0.00 2.86 2.82 0.00 0.00 7.08 6.74 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 63 I 8.30 3.70 2.09 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 1.45 0.87 0.91 0.00 0.00 64 E 8.10 3.90 0.00 2.05 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 0.00 2.31 2.36 0.00 65 L 7.93 4.00 0.00 1.91 1.74 0.93 0.96 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 66 H 8.65 4.13 0.00 3.24 3.48 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.43 4.30 0.00 4.00 4.08 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 68 L 7.95 4.00 0.00 1.83 1.75 0.93 1.18 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 69 Y 8.14 4.04 0.00 3.09 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 70 T 8.27 4.32 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 1.20 0.00 0.00 71 S 8.12 3.81 0.00 4.02 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 72 R 7.50 4.75 0.00 1.82 1.77 0.00 3.15 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 73 E 8.62 4.24 0.00 1.97 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 2.33 2.30 0.00 74 P 0.00 4.41 0.00 2.05 2.00 0.00 3.66 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 2.04 2.13 0.00 75 R 8.19 4.83 0.00 1.85 1.81 0.00 3.15 0.00 0.00 3.27 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 76 V 9.09 3.62 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 1.04 0.00 0.00 1.02 0.00 0.00 77 V 7.82 3.68 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 0.93 0.00 0.00 78 S 7.89 4.04 0.00 4.06 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 79 A 7.97 3.95 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 8.02 3.88 0.00 1.90 1.84 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.25 3.96 0.00 2.34 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.34 4.07 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 83 L 8.04 4.04 0.00 1.91 1.71 0.93 0.84 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 84 K 8.09 3.99 0.00 2.01 2.08 0.00 1.26 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.53 7.81 85 Q 8.17 4.25 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 86 H 7.81 4.31 0.00 3.26 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.27 4.15 0.00 1.76 1.69 0.87 1.23 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 88 F 8.83 4.08 0.00 3.21 3.10 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 0.00 0.00 0.00 0.00 89 K 8.05 3.91 0.00 2.03 2.10 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.03 1.35 7.81 90 Y 7.61 4.24 0.00 2.94 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 91 Q 7.65 2.87 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.48 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 *93 G 7.70 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 94 H 8.87 4.01 0.00 3.28 3.40 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.97 4.25 1.75 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.32 0.80 0.00 0.00 96 G 8.89 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.44 5.08 1.15 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 0.00 0.00 98 Y 8.60 4.66 0.00 3.01 2.86 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 99 L 8.68 5.38 0.00 1.50 1.64 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.70 4.63 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.32 0.95 0.00 0.00 101 V 8.57 4.99 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 0.74 0.00 0.00 0.96 0.00 0.00 102 A 9.36 4.82 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 0.00 103 G 7.69 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 4.56 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 0.73 0.00 0.00 0.96 0.00 0.00 105 D 8.41 4.25 0.00 2.75 2.66 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.