NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3786 0.0000 0.0000 62.4712 33.0526 176.3929 6 T 4.1686 7.9006 111.8081 61.3929 68.1340 171.6435 7 I 4.1005 9.2989 129.0683 61.0341 38.7214 175.4374 8 H 4.6787 8.4931 120.6511 55.1812 29.9094 174.0249 9 D 4.3652 7.9044 121.0789 54.4370 41.5049 175.7953 10 H 4.1242 9.1020 126.9181 59.5461 30.0341 176.5659 11 R 3.9541 7.9452 116.3529 59.2369 30.5223 177.5826 12 Y 4.0788 8.3318 118.7139 60.7405 39.0009 179.1261 13 R 3.7516 8.0187 116.7358 56.5539 29.7480 178.4179 *15 L 4.0893 8.1049 120.7012 55.1374 43.7583 178.9692 16 V 3.4981 7.4216 117.5495 66.0371 31.2900 177.9806 17 Q 4.0081 8.3801 118.0533 58.7159 28.4445 178.4799 18 L 3.9401 7.7882 120.9432 58.1993 42.2824 178.9039 19 L 3.9665 8.0507 118.9281 57.9170 41.4777 179.7110 20 T 3.8648 8.0273 116.0585 66.5477 68.3829 176.9016 21 K 4.0036 8.0879 120.4337 59.3685 32.0463 179.4174 22 L 3.9954 8.1068 119.5278 57.5874 41.5455 179.2950 23 R 3.8882 8.0505 118.6179 59.6431 29.9723 178.7303 24 K 3.9796 8.1157 118.0362 59.4550 31.8200 179.0040 25 E 3.9310 8.5276 118.8414 58.8200 29.5636 177.7442 26 A 4.3529 7.7545 118.2520 51.1683 18.8410 176.9943 27 S 3.7281 7.9522 112.9525 59.9095 61.0921 171.9529 28 L 4.8537 7.6746 119.3806 53.2240 43.2975 177.8000 29 S 4.5621 8.8202 118.7390 57.5612 65.5997 175.5284 30 Q 4.0186 8.4244 120.2992 59.1436 28.3140 179.2236 31 S 4.0733 7.9519 115.8352 61.4379 62.8021 176.3539 32 E 3.7409 8.1558 121.3390 59.2992 29.3793 179.1968 33 L 4.1686 8.1008 120.1189 57.9728 42.0633 178.5940 34 A 3.9754 8.1956 121.0497 55.4226 18.3970 179.5559 35 I 3.4669 7.5843 118.0757 64.6808 36.9088 178.7734 36 F 4.5185 7.1376 116.8748 59.6734 38.8063 176.6979 37 L 4.5974 7.6399 116.1557 53.5109 41.8377 176.6327 38 G 3.8880 7.7951 106.5918 46.5740 0.0000 173.3794 39 L 4.7542 8.0223 119.5196 52.4010 44.8133 175.9537 40 S 4.7021 8.2321 113.3631 56.9541 64.9054 175.1935 41 Q 3.9437 8.4407 121.6170 59.3375 28.6389 178.3701 42 S 4.0748 8.0011 113.9049 61.2794 62.4975 175.6382 43 D 4.3470 7.9910 121.7300 57.5001 40.5014 178.9048 44 I 3.7411 7.5897 120.1989 64.1775 37.1675 178.4040 45 S 4.0162 8.2159 114.1438 61.4565 62.1881 176.4946 46 K 4.0998 8.1411 122.5156 58.7637 31.7093 179.5633 47 I 4.1479 7.5788 121.5166 64.0509 36.8867 178.3449 48 E 3.8470 8.1869 118.0272 58.0632 29.2052 178.4049 49 S 4.2457 7.4315 113.1486 56.8827 63.5472 174.0865 50 F 3.8528 7.2543 119.5312 59.5292 36.6357 176.4391 51 E 4.6851 8.9407 119.8482 56.3407 31.1124 176.6632 52 R 4.6667 7.5261 118.2532 54.2418 33.3541 174.1401 53 R 4.2864 8.4600 123.1784 55.7989 30.9345 175.6722 54 L 4.5487 8.7196 124.2307 53.9567 42.9682 176.9444 55 D 4.7660 9.3698 126.9696 52.1978 42.3171 177.0789 56 A 3.9518 8.5005 120.9478 55.4188 18.2091 179.6411 57 L 4.2394 8.0226 118.1408 58.4304 42.2662 178.8225 58 E 4.3130 9.2479 120.2084 58.4993 29.2790 178.9996 59 L 3.8622 7.9080 120.5724 58.2901 42.0685 179.0933 60 F 4.2990 7.5335 116.2093 60.6947 38.7808 177.4794 61 E 4.0399 8.4364 118.1963 59.3257 29.2335 179.2674 62 L 4.0765 8.2767 120.4891 58.2343 42.2325 178.9813 63 L 3.9893 7.9214 118.9678 57.7190 41.5210 179.0589 64 E 3.9455 8.5946 119.6062 59.5675 29.5216 179.4411 65 V 3.5085 7.7993 112.3642 64.1182 31.4868 178.7730 66 V 3.5252 8.0149 117.9969 65.8317 31.3883 177.9072 67 A 3.9487 8.4394 120.9395 55.1566 18.1041 179.5080 68 S 3.9753 7.9660 111.5483 61.7320 62.2768 176.6400 69 R 3.8884 7.8853 119.3983 58.8136 29.9075 178.2250 70 L 4.4161 8.0858 116.1858 53.8260 42.0704 177.0067 71 G 3.9136 7.4653 106.9599 46.4499 0.0000 173.5490 72 L 4.7008 7.5637 118.3556 51.7248 43.7387 175.2521 73 P 4.4786 0.0000 0.0000 62.6176 32.1965 177.7243 74 M 4.1088 8.6239 120.7938 58.5816 31.8488 178.5954 75 D 4.4503 8.2411 118.7072 57.6611 40.8759 179.0698 76 I 3.7428 7.5822 120.1263 64.4574 37.1873 178.5554 77 L 4.1814 7.8653 119.3418 57.5631 41.4585 179.3732 78 L 4.0447 8.3992 119.6193 57.5944 41.4873 179.4325 79 K 4.0457 8.1106 119.5722 59.5595 32.3025 178.4130 80 D 4.3891 8.2939 119.5257 57.6807 40.5762 179.1207 81 T 3.8560 7.7779 108.5914 65.0071 69.0321 175.6005 82 Y 4.3456 8.4094 123.2543 60.3323 38.6208 177.6599 83 E 3.6436 8.3168 119.5484 59.0586 29.7066 178.6078 84 S 4.4473 7.6012 113.7779 60.1831 63.3242 174.3138 85 I 3.9419 7.4652 116.3128 60.4040 37.7186 176.5050 86 S 3.2056 8.1142 116.7365 60.2817 62.8499 174.8767 87 K 4.1047 9.0629 129.3962 57.0406 31.9872 174.7823 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 5 P 0.00 4.38 0.00 2.07 2.15 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 6 T 7.90 4.17 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 1.15 0.00 0.00 7 I 9.30 4.10 1.97 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 1.18 0.78 0.71 0.00 0.00 8 H 8.49 4.68 0.00 3.07 3.28 0.00 5.90 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 9 D 7.90 4.37 0.00 2.74 2.61 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 10 H 9.10 4.12 0.00 3.08 3.33 0.00 5.98 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 11 R 7.95 3.95 0.00 1.86 1.98 0.00 3.27 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 12 Y 8.33 4.08 0.00 3.10 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 13 R 8.02 3.75 0.00 1.86 1.45 0.00 2.97 0.00 0.00 2.59 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.51 0.00 *15 L 8.10 4.09 0.00 1.63 1.64 0.86 0.76 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 16 V 7.42 3.50 2.22 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 0.94 0.00 0.00 0.44 0.00 0.00 17 Q 8.38 4.01 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.83 0.00 18 L 7.79 3.94 0.00 1.72 1.82 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.05 3.97 0.00 1.82 1.67 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.03 3.86 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 1.24 0.00 0.00 21 K 8.09 4.00 0.00 1.99 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 22 L 8.11 4.00 0.00 1.85 1.71 0.91 0.94 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 23 R 8.05 3.89 0.00 2.03 2.09 0.00 3.53 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 24 K 8.12 3.98 0.00 1.99 1.84 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.60 7.81 25 E 8.53 3.93 0.00 2.00 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 2.32 2.37 0.00 26 A 7.75 4.35 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 27 S 7.95 3.73 0.00 4.03 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 28 L 7.67 4.85 0.00 1.80 1.67 0.97 1.01 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 29 S 8.82 4.56 0.00 4.05 4.01 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 30 Q 8.42 4.02 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 31 S 7.95 4.07 0.00 3.82 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 32 E 8.16 3.74 0.00 2.31 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 2.36 2.29 0.00 33 L 8.10 4.17 0.00 1.84 1.83 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.20 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 3.47 1.36 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.05 0.52 0.00 0.00 36 F 7.14 4.52 0.00 3.16 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 37 L 7.64 4.60 0.00 1.77 1.73 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.80 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 0.00 0.00 0.00 39 L 8.02 4.75 0.00 1.58 1.73 0.97 0.94 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 40 S 8.23 4.70 0.00 4.00 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 41 Q 8.44 3.94 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 42 S 8.00 4.07 0.00 3.91 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 43 D 7.99 4.35 0.00 2.99 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 44 I 7.59 3.74 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 1.58 1.03 0.89 0.00 0.00 45 S 8.22 4.02 0.00 4.01 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 46 K 8.14 4.10 0.00 1.97 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.54 7.81 47 I 7.58 4.15 2.00 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 1.70 1.86 0.91 0.00 0.00 48 E 8.19 3.85 0.00 1.80 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 2.23 2.45 0.00 49 S 7.43 4.25 0.00 4.02 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 50 F 7.25 3.85 0.00 3.44 3.20 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 51 E 8.94 4.69 0.00 2.00 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 2.28 2.43 0.00 52 R 7.53 4.67 0.00 1.78 1.71 0.00 3.18 0.00 0.00 3.47 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 53 R 8.46 4.29 0.00 1.84 1.83 0.00 3.15 0.00 0.00 2.58 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 54 L 8.72 4.55 0.00 1.67 1.70 0.99 1.10 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 55 D 9.37 4.77 0.00 2.98 2.82 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 56 A 8.50 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.24 0.00 1.86 1.88 1.01 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 58 E 9.25 4.31 0.00 2.16 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 2.37 2.38 0.00 59 L 7.91 3.86 0.00 1.69 1.66 0.27 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.53 4.30 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 61 E 8.44 4.04 0.00 2.24 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 2.40 2.56 0.00 62 L 8.28 4.08 0.00 1.84 1.89 0.92 0.94 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 63 L 7.92 3.99 0.00 1.97 1.75 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.59 3.95 0.00 2.11 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 0.00 2.28 2.35 0.00 65 V 7.80 3.51 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 0.78 0.00 0.00 0.98 0.00 0.00 66 V 8.01 3.53 2.22 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 1.08 0.00 0.00 1.00 0.00 0.00 67 A 8.44 3.95 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 68 S 7.97 3.98 0.00 3.84 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 69 R 7.89 3.89 0.00 1.91 1.96 0.00 3.32 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 70 L 8.09 4.42 0.00 1.65 1.70 0.92 0.97 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 71 G 7.47 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 0.00 0.00 0.00 72 L 7.56 4.70 0.00 1.65 1.59 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.48 0.00 2.18 1.97 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 74 M 8.62 4.11 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 75 D 8.24 4.45 0.00 2.73 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 0.00 0.00 0.00 0.00 76 I 7.58 3.74 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 0.96 0.00 0.00 77 L 7.87 4.18 0.00 1.71 1.73 0.97 0.66 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 78 L 8.40 4.04 0.00 1.86 1.78 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.11 4.05 0.00 2.03 2.00 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.56 7.81 80 D 8.29 4.39 0.00 2.94 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 81 T 7.78 3.86 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 82 Y 8.41 4.35 0.00 3.03 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 83 E 8.32 3.64 0.00 2.29 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 2.24 2.44 0.00 84 S 7.60 4.45 0.00 4.05 4.07 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 85 I 7.47 3.94 1.84 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.36 0.89 0.00 0.00 86 S 8.11 3.21 0.00 3.86 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.06 4.10 0.00 1.68 1.65 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.