NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3149 8.2644 123.5806 52.4592 19.7946 175.9492 2 S 4.2487 8.1063 109.7574 56.7237 64.0255 172.3867 3 A 3.5702 8.2911 126.4161 50.9882 16.9843 178.3246 4 A 5.6863 7.7367 135.0000 51.9573 21.5252 177.8868 5 K 4.5187 6.9032 115.1168 55.5153 30.4234 176.4751 6 G 3.6607 8.7236 121.7680 46.0695 0.0000 177.7488 7 D 3.3700 8.2922 114.1992 51.5894 43.9804 175.1784 8 H 3.8679 9.0923 119.1484 57.3381 28.5561 176.7149 9 G 3.5240 8.7981 107.1346 46.7337 0.0000 173.4317 10 G 3.7043 7.0134 105.7686 45.8265 0.0000 171.1075 *12 G 3.8424 7.6369 107.0053 45.1506 0.0000 173.0730 13 A 4.1577 8.5919 119.3181 55.3186 18.1430 179.9088 14 R 3.9380 8.0187 116.7685 59.8070 30.2528 178.7088 15 T 3.9211 7.9212 115.1142 66.5855 68.5317 176.5490 16 W 4.1380 8.1810 120.1160 59.2023 29.0274 178.7038 17 R 3.8661 8.0322 118.9765 59.0647 29.5183 178.0692 18 F 4.4718 8.4585 120.5740 61.6155 39.3320 177.1882 19 L 3.9347 8.1030 118.5186 57.7785 41.3213 179.6997 20 T 3.7868 7.8115 115.8123 66.7926 68.2046 176.6831 21 F 4.9975 8.0083 117.9761 59.6655 39.2167 177.5773 22 G 4.0849 8.6889 104.1029 45.3418 0.0000 173.1949 23 L 4.4924 7.6784 119.7521 56.1226 44.1481 177.6371 24 A 3.9853 8.3406 120.3790 55.5585 18.2678 179.5478 25 L 3.9941 8.7234 116.6232 57.4340 41.7742 178.1457 26 P 4.3014 0.0000 0.0000 65.7015 31.2712 178.7796 27 S 4.1068 8.1759 114.0565 61.6334 62.7168 176.9581 28 V 3.6153 7.8358 120.7567 65.7580 31.2429 178.0262 29 A 4.0428 8.1587 120.8476 54.9895 18.1330 179.6445 30 L 3.9522 8.1707 117.7267 58.2477 41.7759 179.5682 31 C 4.1146 8.1272 116.3237 62.6291 27.9867 176.2106 32 T 3.7967 7.7823 117.8559 66.0153 67.7949 176.6063 33 L 3.9301 7.7101 121.7344 58.0395 42.5343 177.9090 34 N 4.3051 8.3649 117.1773 56.9900 39.0252 176.9482 35 S 3.8643 7.8460 116.0552 60.8000 63.6240 175.5824 36 W 5.3661 7.5525 121.2346 55.2305 26.7888 175.2661 37 L 4.7561 7.4657 119.9101 56.8454 48.8830 175.2569 38 H 4.8971 8.1421 112.7587 55.7726 29.9919 176.9388 39 S 4.7100 7.3013 117.9349 55.8848 62.0809 173.8538 40 G 3.7624 9.1443 117.8933 44.5543 0.0000 172.2348 41 H 4.1362 8.7999 121.9227 56.4903 28.9763 175.0901 42 R 4.2293 8.5586 123.9601 54.9087 30.8325 175.8343 43 E 3.8524 8.9729 122.1051 56.4225 29.6115 177.3958 44 R 4.0487 8.5394 120.8418 55.6395 29.8826 174.8890 45 P 4.4986 0.0000 0.0000 61.9500 32.3115 175.9491 46 A 4.2061 8.4790 122.6271 52.5764 18.8415 177.1273 47 F 4.4747 8.9016 123.7252 57.6387 40.2796 175.0390 48 I 4.2584 7.0518 127.3648 58.7731 40.1671 175.4436 49 P 4.2049 0.0000 0.0000 61.2769 30.2176 176.7231 50 Y 4.2044 7.3660 115.6043 59.1153 38.3972 178.1631 51 H 4.2991 8.9988 121.3467 58.2417 29.1147 175.8139 52 H 4.6399 8.2437 112.9028 55.6432 28.9996 174.2977 53 L 4.6858 7.1593 119.5519 53.0989 44.7323 175.5685 54 R 3.8481 8.5721 115.4982 57.1903 27.5835 177.4084 55 I 3.8313 7.6496 116.4889 61.9014 37.8596 177.4707 56 R 4.3026 8.1269 123.1814 55.2267 31.3926 174.3913 57 T 4.3176 7.9006 111.9829 61.6937 70.3033 175.5237 58 K 4.3313 7.2352 121.2228 54.2586 35.0505 173.0875 59 P 4.1757 0.0000 0.0000 62.2179 32.1620 176.2602 60 F 3.9597 7.6333 119.3060 57.7857 39.0824 176.2678 61 S 4.3960 8.3564 118.7422 58.2945 62.5751 173.8346 62 W 5.2791 7.8024 116.9145 55.5095 31.9216 175.9596 63 G 3.7006 8.5126 108.2859 47.4507 0.0000 174.0507 64 D 4.5827 8.9251 124.4576 52.6770 39.8441 177.3430 65 G 3.7645 8.3917 107.6539 46.3155 0.0000 174.4424 66 N 4.9668 8.3685 114.6345 52.8798 40.2193 173.4639 67 H 4.8814 8.0874 114.5481 54.5040 30.8996 174.6247 68 T 3.6492 8.4006 114.0341 61.0962 69.5115 174.8384 69 F 3.4311 9.1736 124.7579 60.8484 39.3783 176.5199 70 F 4.8197 8.0830 117.5781 56.5714 39.4320 175.5027 71 H 4.1947 7.9869 120.1440 56.6860 30.2113 173.6664 72 N 4.8287 9.2262 125.8335 51.0248 39.5040 172.5992 73 P 4.1419 0.0000 0.0000 65.7609 31.7068 178.1198 74 R 4.0536 8.0007 117.0740 58.6412 30.0041 177.3871 75 V 4.4885 7.9293 107.3560 60.7512 33.8756 174.9109 76 N 4.8164 8.9087 118.6745 50.6744 38.4783 173.0273 77 P 4.2979 0.0000 0.0000 62.0004 32.5204 176.0796 78 L 4.4689 7.9060 120.0400 52.8741 42.9326 176.2619 79 P 4.3676 0.0000 0.0000 65.7531 31.1246 177.7326 80 T 4.1171 7.7080 105.5904 60.7910 69.5513 173.1072 81 G 2.1563 7.2104 108.4780 43.0936 0.0000 173.1088 82 Y 4.4266 7.6873 116.6646 58.0997 38.2729 176.5891 83 E 4.4041 8.5317 121.3706 55.1539 30.8605 177.1539 84 K 4.0661 8.6224 118.5612 57.2148 32.0779 177.1170 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 A 8.26 4.31 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 2 S 8.11 4.25 0.00 3.83 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 3 A 8.29 3.57 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 4 A 7.74 5.69 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 5 K 6.90 4.52 0.00 1.63 0.77 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.32 7.81 6 G 8.72 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 7 D 8.29 3.37 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 8 H 9.09 3.87 0.00 3.52 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.80 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.01 3.70 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 0.00 0.00 0.00 *12 G 7.64 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 13 A 8.59 4.16 1.39 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 0.00 0.00 0.00 14 R 8.02 3.94 0.00 1.94 1.99 0.00 3.20 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 15 T 7.92 3.92 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 0.75 0.00 0.00 16 W 8.18 4.14 0.00 3.46 3.25 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 17 R 8.03 3.87 0.00 2.04 2.21 0.00 3.21 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 18 F 8.46 4.47 0.00 3.28 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 19 L 8.10 3.93 0.00 1.85 1.62 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.81 3.79 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 0.85 0.00 0.00 21 F 8.01 5.00 0.00 3.15 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 22 G 8.69 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 0.00 0.00 0.00 23 L 7.68 4.49 0.00 1.60 1.74 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.34 3.99 1.38 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 0.00 0.00 0.00 25 L 8.72 3.99 0.00 1.86 1.85 1.18 1.13 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 26 P 0.00 4.30 0.00 2.19 2.14 0.00 3.70 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 2.27 2.26 0.00 27 S 8.18 4.11 0.00 4.14 3.91 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 28 V 7.84 3.62 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 1.02 0.00 0.00 1.02 0.00 0.00 29 A 8.16 4.04 1.43 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 0.00 0.00 30 L 8.17 3.95 0.00 1.83 1.71 0.92 1.01 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 31 C 8.13 4.11 0.00 2.92 2.88 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 32 T 7.78 3.80 4.45 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 1.39 0.00 0.00 33 L 7.71 3.93 0.00 1.79 1.88 0.97 0.82 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 34 N 8.36 4.31 0.00 2.75 2.69 0.00 0.00 7.35 7.59 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 35 S 7.85 3.86 0.00 3.35 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 36 W 7.55 5.37 0.00 3.37 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 37 L 7.47 4.76 0.00 1.88 1.85 0.98 1.14 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 38 H 8.14 4.90 0.00 3.15 3.32 0.00 5.91 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.30 4.71 0.00 4.32 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 40 G 9.14 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 0.00 0.00 0.00 41 H 8.80 4.14 0.00 3.16 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.56 4.23 0.00 1.84 1.90 0.00 3.28 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 43 E 8.97 3.85 0.00 1.96 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 2.33 2.29 0.00 44 R 8.54 4.05 0.00 1.97 1.92 0.00 2.45 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 1.40 1.26 0.00 45 P 0.00 4.50 0.00 2.30 2.17 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 46 A 8.48 4.21 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 47 F 8.90 4.47 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.05 4.26 1.20 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.63 -0.15 0.00 0.00 49 P 0.00 4.20 0.00 1.93 2.12 0.00 3.41 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.34 0.00 50 Y 7.37 4.20 0.00 2.82 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 0.00 0.00 0.00 0.00 51 H 9.00 4.30 0.00 3.23 3.41 0.00 5.69 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 52 H 8.24 4.64 0.00 3.25 3.38 0.00 5.47 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.16 4.69 0.00 1.53 1.57 0.81 0.85 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 54 R 8.57 3.85 0.00 1.93 2.02 0.00 3.33 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 55 I 7.65 3.83 1.90 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 1.44 0.77 0.90 0.00 0.00 56 R 8.13 4.30 0.00 1.66 1.68 0.00 3.10 0.00 0.00 3.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.49 0.00 57 T 7.90 4.32 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 1.18 0.00 0.00 58 K 7.24 4.33 0.00 1.61 1.55 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 1.32 7.81 59 P 0.00 4.18 0.00 2.07 1.90 0.00 3.71 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 1.88 1.90 0.00 60 F 7.63 3.96 0.00 2.16 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 61 S 8.36 4.40 0.00 4.18 4.04 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 62 W 7.80 5.28 0.00 3.45 3.35 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 63 G 8.51 3.70 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 0.00 0.00 0.00 64 D 8.93 4.58 0.00 2.81 2.79 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 65 G 8.39 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 0.00 0.00 0.00 66 N 8.37 4.97 0.00 2.63 2.90 0.00 0.00 6.96 7.25 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 67 H 8.09 4.88 0.00 3.19 3.24 0.00 5.95 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.40 3.65 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 1.37 0.00 0.00 69 F 9.17 3.43 0.00 2.68 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 70 F 8.08 4.82 0.00 3.01 3.05 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 71 H 7.99 4.19 0.00 3.37 3.33 0.00 5.89 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 72 N 9.23 4.83 0.00 2.74 2.81 0.00 0.00 6.77 7.49 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 73 P 0.00 4.14 0.00 2.12 2.21 0.00 3.76 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 2.08 2.21 0.00 74 R 8.00 4.05 0.00 1.78 2.03 0.00 3.32 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 75 V 7.93 4.49 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 0.86 0.00 0.00 1.03 0.00 0.00 76 N 8.91 4.82 0.00 2.53 2.85 0.00 0.00 7.00 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.30 0.00 1.99 0.79 0.00 3.74 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 78 L 7.91 4.47 0.00 1.76 1.58 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.37 0.00 2.05 2.16 0.00 3.64 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 2.17 2.11 0.00 80 T 7.71 4.12 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 1.19 0.00 0.00 81 G 7.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.69 4.43 0.00 2.93 2.87 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 83 E 8.53 4.40 0.00 2.05 1.94 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 2.34 2.44 0.00 84 K 8.62 4.07 0.00 1.73 1.75 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.