NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2830 8.4204 121.8880 54.9491 43.1681 176.1776 2 A 4.2797 8.3712 128.7536 50.4005 21.1937 173.4353 3 M 4.7238 9.2328 123.3682 54.1592 35.9151 173.2922 4 T 4.1946 8.4435 122.9934 63.2130 69.5053 174.2078 5 M 4.3051 8.5359 126.0894 55.0711 32.0144 175.6438 6 E 4.7366 8.4594 122.4990 54.4655 33.1991 176.0504 7 H 4.1423 9.0770 123.4877 59.4917 30.0719 176.8401 8 K 4.0579 7.9526 116.4109 57.9286 32.3166 176.8101 9 D 4.9839 7.2428 118.8669 52.1069 43.1332 176.2051 10 R 4.2117 8.3899 122.9090 55.4781 31.2409 175.7667 11 P 4.6743 0.0000 0.0000 62.2953 29.4681 174.3274 12 L 5.0874 7.7455 124.6384 54.5333 43.8395 176.5406 13 V 4.6381 8.8355 115.1245 59.7470 36.5765 174.5450 14 R 5.0066 8.4358 120.4231 55.2858 32.1934 175.8731 15 V 4.9321 8.9241 122.0505 61.2438 35.7095 173.6101 16 I 4.4217 8.9454 127.6591 59.3716 39.8463 173.9174 17 L 5.1882 9.0364 130.0383 53.4312 44.1518 175.5968 18 T 4.9955 8.6184 120.1019 61.4796 71.5751 172.8431 19 N 4.0349 9.0356 128.2556 53.3726 38.9245 174.7285 20 T 4.2874 8.0165 115.4946 61.2773 69.8470 174.7836 21 G 3.8041 8.0455 112.2213 45.5871 0.0000 173.7344 22 S 4.2988 8.3393 112.9343 60.1549 63.7663 174.7568 23 H 4.0851 8.1640 120.3664 55.4848 29.9527 172.7570 24 P 4.4254 0.0000 0.0000 62.8456 31.9836 175.8473 25 V 4.7339 7.7620 112.4157 59.6738 35.8988 175.6111 26 K 4.1619 10.3912 122.8557 59.1779 31.9997 178.0298 27 Q 4.6001 7.8575 115.3221 54.0601 32.1338 175.1983 28 R 4.1432 8.8028 123.2594 58.5002 31.4613 176.1093 29 S 5.4954 8.1066 112.9852 56.8939 66.2036 174.1347 30 V 4.5615 9.1505 116.0351 59.8743 36.1692 173.8050 31 Y 5.0804 8.5630 120.0216 56.5654 39.8888 175.0076 32 I 4.8073 8.9931 116.4201 60.0386 42.1026 173.4241 33 T 5.2025 8.4979 117.5761 61.8831 70.9320 173.9704 34 A 4.8998 9.2332 126.2449 50.2812 23.4155 174.6097 35 L 4.7377 9.0210 123.1379 53.9987 43.7789 175.8529 36 L 4.3723 8.8497 127.1864 55.0195 42.1929 176.4179 37 D 4.8949 9.0113 125.8494 52.1793 42.6757 176.7590 38 S 4.2304 8.9677 121.7246 60.5043 63.3924 175.3408 39 G 3.8088 8.1876 108.3473 45.5962 0.0000 172.9038 40 A 4.6889 7.6202 122.6305 50.1742 21.0232 178.0318 41 D 4.6125 8.8835 122.5474 56.7203 42.2494 176.1181 42 I 5.2761 7.3951 109.6539 58.1569 42.0463 174.4949 43 T 4.6537 8.6317 118.9129 63.2813 70.1595 174.1052 44 I 5.0265 8.6547 125.7751 59.7214 41.1995 174.3005 45 I 4.7334 8.8108 128.9003 59.6530 39.0609 176.1545 46 S 4.7520 8.5553 120.8245 57.9691 63.6587 175.2975 47 E 4.0530 8.4443 121.8395 59.4817 29.4916 178.5900 48 E 4.0969 8.2238 118.8073 59.0352 29.8649 177.2989 49 D 4.4796 7.7068 116.7924 55.4572 41.3868 176.4436 50 W 4.0941 7.9821 129.9751 55.7139 31.1582 174.0518 51 P 3.8587 0.0000 0.0000 62.7467 31.0972 177.2301 52 T 3.8779 8.5372 120.1748 66.6749 68.4258 174.6015 53 D 4.6782 7.8964 117.1806 53.1686 40.0463 176.0383 54 W 4.6131 7.9197 121.8975 55.3913 29.2594 174.4207 55 P 4.6956 0.0000 0.0000 63.2011 31.9299 175.7335 56 V 5.1519 8.4555 113.7400 60.0451 35.8180 174.6469 57 M 4.8625 9.1949 121.4134 53.1347 36.0742 174.8625 58 E 3.9855 9.3184 121.2513 59.5032 29.8430 177.0930 59 A 2.9071 8.2819 122.3563 50.9501 19.0466 176.1596 *72 P 4.2839 0.0000 0.0000 61.7249 33.1807 177.9368 73 M 4.9355 8.3132 121.6281 53.8423 36.6128 174.8058 74 R 4.7433 8.9657 122.3050 54.6876 33.4509 174.8754 75 K 4.9020 8.7935 120.8690 54.2607 35.7469 175.2593 76 S 4.4533 8.7924 121.7900 58.9194 62.3731 174.1798 77 R 4.1928 9.0909 128.2665 59.5479 30.2702 176.5947 78 D 4.9417 8.1815 116.5570 53.4756 42.8631 175.8632 79 M 3.2996 8.2777 120.9164 55.0721 33.5307 174.7904 80 I 4.7381 8.8440 127.6911 59.4748 40.6009 174.0146 81 E 4.8216 8.8162 127.4512 54.8831 31.4913 174.6245 82 V 4.7447 8.8625 127.4550 61.0879 34.2858 174.3286 83 G 3.9790 9.0951 116.3453 44.3207 0.0000 172.0141 84 V 4.2517 8.3269 127.4805 62.2013 33.0313 174.5594 85 I 4.9639 8.4636 129.2138 59.4211 38.4158 175.7507 86 N 4.5445 9.4010 125.2599 52.7522 39.1202 176.0591 87 R 3.9231 8.6833 121.4182 59.4015 30.0346 176.8020 88 D 4.6279 8.1459 114.5375 52.8863 39.5871 177.1989 89 G 3.9644 8.8754 108.8903 45.4658 0.0000 174.2533 90 S 4.4591 8.6920 115.5655 58.1025 64.6178 173.0922 91 L 5.1048 8.2951 121.5160 53.4149 43.1002 176.3442 92 E 4.3857 8.6707 123.0881 55.3050 30.7481 176.7442 93 R 3.9789 8.4415 122.0757 55.7320 30.7441 174.6772 94 P 4.7875 0.0000 0.0000 62.9515 32.4209 175.1989 95 L 4.9139 8.5461 119.8238 52.9318 45.7080 175.4939 96 L 5.0398 8.4283 120.7127 53.2051 43.8420 175.7232 97 L 4.7779 8.9696 123.1754 53.4467 47.0604 175.7414 98 F 5.1417 8.6378 118.3251 54.7019 39.1572 173.5748 99 P 4.5820 0.0000 0.0000 62.4742 33.0878 176.0341 100 A 4.6768 8.6498 122.8470 51.5282 20.6804 176.5809 101 V 4.6721 8.4600 118.8066 61.1246 34.7435 174.5174 102 A 4.6288 8.5325 127.8674 51.4306 23.4714 175.3656 103 M 4.5784 8.5352 119.5098 54.4075 30.5982 176.5493 104 V 4.5272 7.7885 115.6885 58.6952 35.6544 177.0840 105 R 3.5744 8.7425 121.6617 58.9585 30.0053 175.9938 106 G 4.0640 6.8358 102.4873 45.6688 0.0000 173.3971 107 S 4.7197 8.1722 115.8433 58.4998 64.4546 173.7514 108 I 4.9677 9.0337 123.7213 59.5565 40.7697 174.4491 109 L 4.6294 9.0234 127.9873 53.9335 42.9861 177.2174 110 G 4.4669 8.3643 114.2243 43.1580 0.0000 173.4683 111 R 4.0241 8.8014 118.8382 58.8329 29.4614 178.7948 112 D 4.3635 7.7304 118.3981 56.7077 39.2481 178.5134 113 C 4.1854 7.9772 117.4939 62.2049 28.3755 175.7382 114 L 3.9805 8.0702 120.6896 57.8425 41.2258 179.3388 115 Q 4.0528 8.4798 119.8545 59.2792 28.8046 178.6562 116 G 3.6559 7.6134 105.4767 47.4877 0.0000 174.8771 117 L 4.3467 7.9141 118.9154 54.2435 42.2064 176.7416 118 G 3.8082 8.0059 106.8601 46.5655 0.0000 174.1349 119 L 4.4370 7.8762 118.6195 53.6864 42.8092 176.9246 120 R 4.6811 8.0587 115.9173 54.4134 32.5402 174.3829 121 L 4.5700 8.3179 119.2725 53.5836 42.8287 176.0418 122 T 4.6467 8.1424 116.8758 61.0285 70.1430 172.5511 123 N 4.9597 8.5863 121.6055 52.4353 38.1686 174.4741 124 L 4.1970 7.9763 124.5856 55.3644 41.7444 176.5044 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 L 8.42 4.28 0.00 1.85 1.66 0.93 0.65 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 2 A 8.37 4.28 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 3 M 9.23 4.72 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 4 T 8.44 4.19 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 5 M 8.54 4.31 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 6 E 8.46 4.74 0.00 1.95 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 2.29 2.20 0.00 7 H 9.08 4.14 0.00 3.06 3.35 0.00 5.92 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.95 4.06 0.00 1.76 1.81 0.00 1.64 0.00 0.00 1.38 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.37 7.81 9 D 7.24 4.98 0.00 2.82 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.39 4.21 0.00 1.78 1.86 0.00 3.25 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 11 P 0.00 4.67 0.00 2.12 2.22 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.00 0.00 12 L 7.75 5.09 0.00 1.56 1.64 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.84 4.64 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 0.72 0.00 0.00 0.99 0.00 0.00 14 R 8.44 5.01 0.00 1.79 1.94 0.00 3.24 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 15 V 8.92 4.93 2.12 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 1.09 0.00 0.00 0.97 0.00 0.00 16 I 8.95 4.42 1.25 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.22 0.91 0.00 0.00 17 L 9.04 5.19 0.00 1.71 1.83 1.03 0.70 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 18 T 8.62 5.00 4.16 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 1.16 0.00 0.00 19 N 9.04 4.03 0.00 1.44 1.68 0.00 0.00 7.15 7.58 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 20 T 8.02 4.29 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 1.11 0.00 0.00 21 G 8.05 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.34 4.30 0.00 3.97 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 23 H 8.16 4.09 0.00 3.13 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.84 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 4.43 0.00 2.14 1.95 0.00 3.31 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 25 V 7.76 4.73 2.29 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 0.78 0.00 0.00 0.89 0.00 0.00 26 K 10.39 4.16 0.00 1.65 1.89 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.60 7.81 27 Q 7.86 4.60 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.11 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 28 R 8.80 4.14 0.00 1.94 1.90 0.00 3.07 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 29 S 8.11 5.50 0.00 3.73 3.58 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 30 V 9.15 4.56 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 0.55 0.00 0.00 0.57 0.00 0.00 31 Y 8.56 5.08 0.00 2.85 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 32 I 8.99 4.81 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.16 0.89 0.00 0.00 33 T 8.50 5.20 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 34 A 9.23 4.90 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 35 L 9.02 4.74 0.00 1.74 1.67 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.85 4.37 0.00 1.66 1.65 0.93 1.01 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 37 D 9.01 4.89 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.97 4.23 0.00 4.02 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 39 G 8.19 3.81 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 0.00 0.00 0.00 40 A 7.62 4.69 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 41 D 8.88 4.61 0.00 2.65 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 42 I 7.40 5.28 1.88 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 1.36 1.63 0.92 0.00 0.00 43 T 8.63 4.65 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 1.31 0.00 0.00 44 I 8.65 5.03 1.86 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 1.20 0.71 0.87 0.00 0.00 45 I 8.81 4.73 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.26 1.21 0.00 0.00 46 S 8.56 4.75 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 4.05 0.00 2.01 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 2.31 2.30 0.00 48 E 8.22 4.10 0.00 1.94 1.99 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 2.29 2.33 0.00 49 D 7.71 4.48 0.00 2.75 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 50 W 7.98 4.09 0.00 3.44 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 51 P 0.00 3.86 0.00 0.49 1.14 0.00 2.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.14 0.00 52 T 8.54 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 1.25 0.00 0.00 53 D 7.90 4.68 0.00 2.91 2.84 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 54 W 7.92 4.61 0.00 2.53 2.91 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 0.00 0.00 0.00 55 P 0.00 4.70 0.00 2.18 2.20 0.00 3.73 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.85 0.00 56 V 8.46 5.15 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 0.97 0.00 0.00 57 M 9.19 4.86 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 58 E 9.32 3.99 0.00 1.84 1.92 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 2.30 2.32 0.00 59 A 8.28 2.91 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 *72 P 0.00 4.28 0.00 2.09 2.10 0.00 3.70 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 1.87 2.00 0.00 73 M 8.31 4.94 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 74 R 8.97 4.74 0.00 1.60 1.76 0.00 3.03 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 75 K 8.79 4.90 0.00 1.70 1.55 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.71 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 1.38 7.81 76 S 8.79 4.45 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.09 4.19 0.00 1.98 2.05 0.00 3.33 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 78 D 8.18 4.94 0.00 2.59 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 79 M 8.28 3.30 0.00 1.79 1.32 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.21 0.00 80 I 8.84 4.74 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.31 1.04 0.00 0.00 81 E 8.82 4.82 0.00 1.96 1.74 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 2.21 2.20 0.00 82 V 8.86 4.74 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 0.93 0.00 0.00 0.97 0.00 0.00 83 G 9.10 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 84 V 8.33 4.25 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 0.99 0.00 0.00 0.95 0.00 0.00 85 I 8.46 4.96 2.04 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.01 0.96 0.00 0.00 86 N 9.40 4.54 0.00 2.95 2.78 0.00 0.00 6.18 7.52 0.00 0.00 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 R 8.68 3.92 0.00 1.77 2.00 0.00 3.39 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 88 D 8.15 4.63 0.00 2.82 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 89 G 8.88 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 90 S 8.69 4.46 0.00 3.88 4.02 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 91 L 8.30 5.10 0.00 1.56 1.64 0.95 0.98 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 92 E 8.67 4.39 0.00 1.88 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 2.35 2.41 0.00 93 R 8.44 3.98 0.00 1.77 1.83 0.00 3.24 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 94 P 0.00 4.79 0.00 2.10 2.02 0.00 3.75 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 1.97 1.99 0.00 95 L 8.55 4.91 0.00 1.61 1.56 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.43 5.04 0.00 1.44 1.46 0.88 0.81 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 97 L 8.97 4.78 0.00 1.52 1.56 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.64 5.14 0.00 2.84 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 99 P 0.00 4.58 0.00 2.14 2.25 0.00 3.85 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 2.36 2.17 0.00 100 A 8.65 4.68 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 0.00 101 V 8.46 4.67 1.05 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 0.53 0.00 0.00 -0.49 0.00 0.00 102 A 8.53 4.63 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 0.00 103 M 8.54 4.58 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 104 V 7.79 4.53 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 0.82 0.00 0.00 1.06 0.00 0.00 105 R 8.74 3.57 0.00 1.77 1.97 0.00 3.29 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 106 G 6.84 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 0.00 107 S 8.17 4.72 0.00 4.00 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 0.00 108 I 9.03 4.97 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 1.24 0.97 0.97 0.00 0.00 109 L 9.02 4.63 0.00 1.60 1.62 0.94 0.80 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 0.00 110 G 8.36 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 0.00 111 R 8.80 4.02 0.00 1.83 2.00 0.00 3.14 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 112 D 7.73 4.36 0.00 3.01 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 0.00 113 C 7.98 4.19 0.00 3.17 3.03 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 0.00 114 L 8.07 3.98 0.00 1.70 1.73 0.93 0.75 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 0.00 115 Q 8.48 4.05 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 116 G 7.61 3.66 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 0.00 117 L 7.91 4.35 0.00 1.81 1.73 0.93 1.00 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 0.00 118 G 8.01 3.81 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 0.00 0.00 0.00 119 L 7.88 4.44 0.00 1.66 1.61 0.93 0.63 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 0.00 120 R 8.06 4.68 0.00 1.85 1.84 0.00 3.02 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 121 L 8.32 4.57 0.00 1.65 1.65 0.93 0.78 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 0.00 122 T 8.14 4.65 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 0.00 123 N 8.59 4.96 0.00 2.81 2.85 0.00 0.00 6.10 7.79 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 0.00 124 L 7.98 4.20 0.00 1.68 1.62 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.