NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.0572 8.0093 121.4424 61.1981 38.1358 175.8862 5 D 4.3070 8.2137 126.3709 52.0169 42.2464 175.3613 6 Y 4.1950 8.3051 116.5068 60.8004 38.1417 179.7831 7 K 4.0295 8.1312 120.2991 59.9089 32.4423 178.8184 8 T 3.9309 8.7981 116.2158 66.5021 68.3443 176.2043 9 A 4.0250 8.2572 122.8505 55.3336 18.1953 179.2270 10 F 4.0911 8.2054 117.4126 62.1585 39.5198 176.8345 11 H 4.4556 8.2323 114.0334 58.1444 28.6984 176.8390 12 L 4.2019 8.2953 120.5976 55.0823 42.5942 176.7213 13 A 4.0449 7.2927 122.0672 52.5244 18.6659 176.2509 14 P 4.4768 0.0000 0.0000 63.4764 31.9189 175.8892 15 I 4.6928 6.9952 112.1351 58.6633 40.6908 175.6668 16 G 3.9200 8.9290 111.4591 46.6615 0.0000 172.5131 17 L 5.5830 9.2762 124.7499 52.9816 45.6588 175.8040 18 V 5.0813 9.3501 121.5654 61.4709 35.6108 173.8918 19 L 5.2657 9.1722 127.9772 53.5947 43.1953 175.8083 20 S 5.3220 9.3398 118.9391 56.6988 66.9557 173.2227 21 R 4.8269 8.6973 120.4537 55.7235 33.2951 174.7339 22 D 4.9727 9.6102 125.5837 54.5690 38.8158 174.6044 23 R 4.1979 8.2340 112.3226 57.0242 28.0433 175.7789 24 V 4.3812 7.3952 117.7319 60.7537 33.5524 174.7511 25 I 3.9285 8.1283 128.3432 61.3631 37.0696 176.3433 26 E 4.2531 8.9890 128.0630 58.2753 30.5741 176.5697 27 D 5.0064 7.8956 116.9644 53.2536 45.0829 173.7085 28 C 5.7322 8.9873 117.0251 58.0053 32.9683 172.2549 29 N 4.9344 8.3472 117.0522 51.4061 39.5505 175.7314 30 D 4.4181 8.6699 118.0364 57.2637 40.6927 178.5550 31 E 4.0028 8.1389 119.7107 58.9328 29.6331 178.3733 32 L 4.0141 8.1912 119.6962 58.1680 42.2148 178.2587 33 A 4.0177 7.8065 120.2947 55.4424 18.2465 179.4524 34 A 3.8948 8.4600 119.1719 55.4399 18.2624 179.7809 35 I 3.3940 7.6537 117.0478 64.1917 37.3599 177.7486 36 F 4.3563 8.1099 116.2006 56.1210 39.3670 175.9232 37 R 3.8946 7.8359 116.7681 56.8156 27.7841 174.3829 38 C 4.5722 8.3136 110.8617 57.4850 33.0090 172.9743 39 A 4.6940 8.5771 121.5644 50.7143 20.6900 178.0648 40 R 3.8992 8.7345 119.6927 59.8674 29.7506 178.9033 41 A 3.9888 7.9751 118.4893 55.1384 18.4165 178.8475 42 D 4.4142 8.0389 116.5536 56.4960 41.1581 177.7341 43 L 4.5439 7.9021 118.5091 53.9676 42.6097 176.3308 44 I 3.8529 7.2937 120.2134 62.4385 37.1863 176.0388 45 G 3.8154 9.3213 114.1811 45.5243 0.0000 172.4924 46 R 4.3681 7.4720 120.1120 53.8487 31.6185 175.7414 47 S 4.4318 8.2468 119.3120 58.1012 63.1874 174.8648 48 F 4.3397 8.9621 126.6984 60.6740 38.6440 177.3569 49 E 3.3258 7.6642 119.0867 59.4410 28.8546 179.3834 50 V 3.6912 7.2869 110.4854 63.6525 31.6562 177.7378 51 L 4.1737 7.6972 117.0893 55.1488 40.5031 176.6325 52 Y 4.3918 7.2647 117.2645 56.3536 38.9155 174.8678 53 P 4.5824 0.0000 0.0000 65.3752 31.9358 177.2480 54 S 4.6488 7.5181 110.2232 56.1295 67.1931 175.3887 55 S 4.2281 8.5894 116.5671 61.6888 62.0907 175.8877 56 D 4.3796 8.1224 121.1721 57.4296 40.4903 178.5180 57 E 3.9588 8.1963 118.9084 59.2315 29.5936 179.0040 58 F 2.6240 7.9499 120.5780 60.8345 39.4244 177.1294 59 E 3.5153 8.1530 118.0223 59.2025 29.3215 179.2224 60 R 3.7837 8.0915 119.0441 59.6725 30.1088 178.6971 61 I 3.8910 7.9356 119.8788 63.9136 37.0636 178.5959 62 G 3.2856 7.4500 106.4134 47.8289 0.0000 175.6460 63 E 4.0604 7.8591 122.0133 59.4058 29.4685 179.9341 64 R 4.1691 7.4570 119.9481 61.0753 29.7862 182.7504 65 I 3.3963 7.7894 120.3097 64.3243 36.8587 178.2240 66 S 4.1992 7.5368 114.3076 61.5453 62.9985 174.4611 67 P 4.3537 0.0000 0.0000 65.6926 31.6026 179.0779 68 V 4.0135 7.5729 113.0545 63.9626 30.9346 177.4423 *70 I 4.4898 8.1108 118.5376 61.1223 38.7145 177.0315 71 A 4.0813 8.1427 121.4982 54.6639 18.2172 177.9100 72 H 4.7589 8.2790 110.4596 54.9944 30.7426 175.6889 73 G 4.0013 9.7428 106.4638 45.2372 0.0000 172.5697 74 S 4.7907 7.4127 112.0600 57.5889 66.2689 172.6862 75 Y 4.8220 8.6250 120.1715 56.4262 42.3993 173.3750 76 A 5.0112 7.0972 125.3908 51.0245 22.6073 174.8208 77 D 4.5576 8.8969 120.0761 52.8966 43.4717 173.4031 78 D 5.7656 8.6659 117.3732 52.8322 44.2834 175.6854 79 R 4.9589 9.0128 117.4520 55.0468 33.3099 174.4889 80 I 4.1157 7.4569 120.5275 59.9723 38.3432 175.5926 *82 K 4.3110 8.3237 123.7281 56.3201 32.8367 175.9670 83 R 4.3451 9.1390 125.6242 55.4598 30.7464 176.0255 84 A 4.1564 8.4706 123.7882 54.2206 18.6512 178.1659 85 G 3.9561 8.6150 111.1951 44.4192 0.0000 174.3706 86 G 4.0522 8.0019 106.0613 44.9199 0.0000 173.7556 87 E 4.0746 8.3038 122.0244 56.5297 30.5695 175.4997 88 L 5.0558 8.5369 126.9581 53.9449 43.4232 175.7971 89 F 4.9547 7.9804 115.7129 55.3880 41.4757 173.0863 90 W 4.6407 8.8626 120.3564 56.7195 30.6319 174.8682 91 C 5.2625 9.1935 124.0780 57.9811 34.7426 172.0172 92 H 5.3565 9.3207 126.5923 54.8224 31.0713 173.9183 93 V 5.4424 8.8637 125.0318 60.1806 34.7789 174.2304 94 T 5.0793 8.2264 115.2955 60.1485 72.5623 172.8977 95 G 2.6858 8.5989 108.8912 44.3029 0.0000 171.7870 96 R 4.6901 8.2323 122.7749 53.8798 33.0033 174.6514 97 A 4.5924 8.5793 129.4747 51.6958 19.2878 177.1533 98 L 4.0709 8.5761 121.7853 57.1402 42.0761 177.5568 99 D 4.6981 7.8445 117.7905 51.9525 43.4989 175.8562 100 R 4.0446 8.7614 124.2194 59.3251 29.4940 178.2180 101 T 4.1591 8.2002 106.4686 62.5438 69.8088 174.4388 102 A 4.8050 8.1061 125.8237 50.0867 18.6628 175.0498 103 P 4.3635 0.0000 0.0000 64.4295 32.3507 178.3555 104 L 4.7679 7.9759 116.7500 54.3099 42.6589 175.6818 105 A 5.0078 7.9687 125.1688 50.6918 18.8407 177.6918 106 A 4.8275 8.0835 116.3608 53.3445 19.5203 177.4409 107 G 4.4649 8.3891 104.0732 45.9022 0.0000 172.0130 108 V 5.0986 8.3934 120.2592 60.8513 33.6868 174.4727 109 W 5.4108 9.6745 127.7265 55.0446 32.9874 174.4654 110 T 5.4096 9.0983 113.5956 60.0805 71.8040 172.8907 111 F 5.3698 9.4877 121.5756 55.9605 43.4236 173.4438 112 E 5.0812 9.3144 123.4645 54.4538 33.2670 173.5847 113 D 5.0729 8.9415 126.9011 54.4372 41.4167 175.7806 114 L 4.5838 9.1802 126.2508 55.9297 41.9655 178.2245 115 S 4.3178 9.0220 113.2029 59.8944 63.6724 174.1590 116 A 4.2204 8.0577 128.1304 52.2897 18.5651 176.7662 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 4 I 8.01 4.06 1.83 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 1.46 1.05 0.90 0.00 0.00 5 D 8.21 4.31 0.00 2.93 2.76 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 0.00 6 Y 8.31 4.19 0.00 3.07 3.04 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 0.00 0.00 0.00 0.00 7 K 8.13 4.03 0.00 1.89 2.02 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.67 7.81 8 T 8.80 3.93 4.41 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 1.25 0.00 0.00 9 A 8.26 4.03 1.47 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 10 F 8.21 4.09 0.00 3.11 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 11 H 8.23 4.46 0.00 3.31 3.39 0.00 5.70 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 12 L 8.30 4.20 0.00 1.69 1.82 0.94 0.94 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 13 A 7.29 4.04 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 14 P 0.00 4.48 0.00 2.21 2.18 0.00 3.72 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 2.00 1.96 0.00 15 I 7.00 4.69 1.95 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 1.23 1.07 0.95 0.00 0.00 16 G 8.93 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 17 L 9.28 5.58 0.00 0.92 1.52 0.86 0.84 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 18 V 9.35 5.08 2.75 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 1.33 0.00 0.00 1.21 0.00 0.00 19 L 9.17 5.27 0.00 1.68 1.62 0.64 0.59 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 20 S 9.34 5.32 0.00 3.92 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 21 R 8.70 4.83 0.00 2.02 1.86 0.00 3.25 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 22 D 9.61 4.97 0.00 2.88 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 23 R 8.23 4.20 0.00 2.29 2.47 0.00 2.95 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 24 V 7.40 4.38 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 0.94 0.00 0.00 0.88 0.00 0.00 25 I 8.13 3.93 1.93 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.22 0.89 0.00 0.00 26 E 8.99 4.25 0.00 1.97 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 2.27 2.23 0.00 27 D 7.90 5.01 0.00 2.64 2.41 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 28 C 8.99 5.73 0.00 3.17 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 29 N 8.35 4.93 0.00 2.74 2.47 0.00 0.00 5.93 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 30 D 8.67 4.42 0.00 2.73 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 31 E 8.14 4.00 0.00 2.07 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 0.00 2.41 2.46 0.00 32 L 8.19 4.01 0.00 1.87 1.81 0.82 1.04 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 33 A 7.81 4.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 3.89 1.35 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 35 I 7.65 3.39 1.90 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 1.42 0.74 0.32 0.00 0.00 36 F 8.11 4.36 0.00 3.08 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 37 R 7.84 3.89 0.00 1.95 1.96 0.00 3.24 0.00 0.00 3.36 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 38 C 8.31 4.57 0.00 3.23 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 39 A 8.58 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 40 R 8.73 3.90 0.00 1.92 1.98 0.00 3.57 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 41 A 7.98 3.99 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 42 D 8.04 4.41 0.00 2.82 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 43 L 7.90 4.54 0.00 1.75 1.59 0.89 0.68 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 44 I 7.29 3.85 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.76 0.95 0.00 0.00 45 G 9.32 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 46 R 7.47 4.37 0.00 1.82 1.79 0.00 3.06 0.00 0.00 3.01 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 47 S 8.25 4.43 0.00 3.75 3.51 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 0.00 48 F 8.96 4.34 0.00 3.32 3.28 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 49 E 7.66 3.33 0.00 1.16 1.35 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 1.78 2.00 0.00 50 V 7.29 3.69 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 0.68 0.00 0.00 0.87 0.00 0.00 51 L 7.70 4.17 0.00 1.35 1.03 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.26 4.39 0.00 3.27 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 53 P 0.00 4.58 0.00 2.06 2.10 0.00 3.89 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 1.98 2.00 0.00 54 S 7.52 4.65 0.00 4.01 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 55 S 8.59 4.23 0.00 4.01 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 56 D 8.12 4.38 0.00 2.73 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 57 E 8.20 3.96 0.00 2.28 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 2.35 2.50 0.00 58 F 7.95 2.62 0.00 2.75 3.06 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 59 E 8.15 3.52 0.00 2.10 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 0.00 2.60 2.45 0.00 60 R 8.09 3.78 0.00 1.91 1.98 0.00 3.10 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 1.61 1.65 0.00 61 I 7.94 3.89 1.86 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.48 1.01 0.00 0.00 62 G 7.45 3.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.86 4.06 0.00 2.06 1.97 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 2.26 2.34 0.00 64 R 7.46 4.17 0.00 1.91 1.84 0.00 3.27 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 65 I 7.79 3.40 1.75 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.59 0.77 0.00 0.00 66 S 7.54 4.20 0.00 3.82 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 67 P 0.00 4.35 0.00 2.20 2.10 0.00 3.71 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 2.12 2.07 0.00 68 V 7.57 4.01 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 1.16 0.00 0.00 1.15 0.00 0.00 *70 I 8.11 4.49 2.00 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 1.43 1.85 0.91 0.00 0.00 71 A 8.14 4.08 1.14 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 0.00 0.00 72 H 8.28 4.76 0.00 3.27 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.74 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 0.00 0.00 0.00 74 S 7.41 4.79 0.00 3.76 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 0.00 75 Y 8.62 4.82 0.00 3.12 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 76 A 7.10 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.90 4.56 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.67 5.77 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 79 R 9.01 4.96 0.00 1.88 2.11 0.00 3.14 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.83 0.00 80 I 7.46 4.12 1.43 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.12 0.48 0.00 0.00 *82 K 8.32 4.31 0.00 1.80 1.96 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.71 7.81 83 R 9.14 4.35 0.00 1.87 1.78 0.00 3.00 0.00 0.00 2.91 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.66 0.00 84 A 8.47 4.16 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 85 G 8.62 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 86 G 8.00 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 87 E 8.30 4.07 0.00 2.07 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 2.42 2.37 0.00 88 L 8.54 5.06 0.00 1.54 1.45 0.89 0.80 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 89 F 7.98 4.95 0.00 3.15 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 90 W 8.86 4.64 0.00 3.38 3.17 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 0.00 91 C 9.19 5.26 0.00 2.45 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 92 H 9.32 5.36 0.00 3.33 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.86 5.44 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 0.55 0.00 0.00 0.76 0.00 0.00 94 T 8.23 5.08 4.19 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 1.07 0.00 0.00 95 G 8.60 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 0.00 0.00 0.00 96 R 8.23 4.69 0.00 1.67 1.59 0.00 3.03 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 97 A 8.58 4.59 1.42 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 98 L 8.58 4.07 0.00 1.85 1.77 0.93 0.79 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 99 D 7.84 4.70 0.00 2.62 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.76 4.04 0.00 2.04 2.19 0.00 3.21 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 101 T 8.20 4.16 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 1.21 0.00 0.00 102 A 8.11 4.81 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 0.00 103 P 0.00 4.36 0.00 2.24 2.24 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 104 L 7.98 4.77 0.00 1.72 1.70 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.97 5.01 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 0.00 106 A 8.08 4.83 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 0.00 107 G 8.39 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.39 5.10 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 1.17 0.00 0.00 0.99 0.00 0.00 109 W 9.67 5.41 0.00 3.71 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 0.00 110 T 9.10 5.41 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 1.24 0.00 0.00 111 F 9.49 5.37 0.00 3.13 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 0.00 112 E 9.31 5.08 0.00 2.10 1.85 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 2.28 2.31 0.00 113 D 8.94 5.07 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 9.18 4.58 0.00 1.74 1.77 1.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 115 S 9.02 4.32 0.00 4.06 4.18 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 0.00 0.00 0.00 0.00 116 A 8.06 4.22 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 * Residues marked with a * may have inaccurate shift predictions.