NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3629 8.1227 122.4649 51.9227 20.7179 174.7475 3 Q 4.7413 7.9291 118.4217 55.4718 31.9263 170.9969 4 K 4.1967 8.3961 120.4336 56.0893 36.0508 172.7951 5 T 5.1927 8.6598 123.9837 62.2264 70.3842 173.7418 6 F 5.0273 9.1140 126.0572 55.6561 42.6060 174.6042 7 K 5.2683 8.4862 118.0285 54.9494 34.8360 175.6478 8 V 4.0987 8.6282 119.7974 62.8244 31.8770 176.8449 9 T 4.3748 9.0047 116.0956 62.1200 70.6375 175.5545 10 A 4.0567 7.9683 126.2608 52.1973 18.9404 177.2184 11 D 4.3566 8.8703 123.8529 57.8631 40.9816 178.5461 12 S 4.2105 7.9695 112.4930 59.2429 63.5263 176.5516 13 G 3.7851 7.6246 108.6934 45.7104 0.0000 174.9346 14 I 4.0458 7.6171 116.8893 59.9455 35.9141 174.0983 15 H 4.6921 7.7343 120.7905 54.5698 33.7924 173.3511 16 A 3.8588 8.4144 121.3816 52.5671 17.4799 176.8382 17 R 3.8690 8.7344 111.9716 59.8677 29.9042 177.4986 18 P 4.2008 0.0000 0.0000 65.9317 31.3194 178.3917 19 A 3.9860 7.9007 118.7040 55.1941 18.2046 179.8656 20 T 3.7534 7.8894 114.3551 66.7146 68.5920 176.7898 21 V 3.6798 8.1406 120.4658 66.0972 31.3953 177.5165 22 L 3.9042 7.8028 119.8633 58.4894 41.6351 179.2711 23 V 4.3234 7.5036 117.9002 65.3906 31.6737 177.8372 24 Q 4.1232 8.0073 118.1660 59.2735 28.5602 178.0403 25 T 3.8195 8.0137 116.4046 66.9419 68.2967 176.1563 26 A 4.1688 8.0494 122.4721 55.6855 18.1175 179.8806 27 S 4.2599 7.8351 113.1138 61.0560 62.9703 175.9424 28 K 4.0945 8.0203 119.1963 56.7964 33.0904 176.1151 29 Y 4.6976 6.8347 117.0579 56.3028 39.8286 175.3513 30 D 4.4759 9.3658 124.4541 57.5629 41.1649 177.2211 31 A 4.2631 7.8805 119.2495 52.3198 19.2694 176.9965 32 D 4.5431 8.8712 120.8347 54.3381 42.3032 175.6775 33 V 4.9792 8.4480 122.0287 61.2766 34.7109 173.8562 34 N 5.6321 9.2898 123.6553 51.4901 43.7486 173.0616 35 L 4.9398 8.9599 121.4848 53.7104 45.6708 174.2622 36 E 5.1039 9.0804 127.8292 54.5594 32.0610 173.7019 37 Y 4.7763 8.6859 129.0732 56.9853 40.3117 176.5986 38 N 3.7120 8.2538 121.0380 51.6319 35.3758 172.6484 39 G 4.0329 7.5938 116.7572 46.3614 0.0000 172.3705 40 K 4.2424 8.1499 116.5862 56.3955 34.1160 176.4579 41 T 5.1030 8.2297 116.0550 62.1615 71.9880 173.4836 42 V 4.5320 9.0138 118.6463 59.1919 36.4047 174.0507 43 N 4.9737 8.5726 120.5516 52.7859 38.9305 174.7172 44 L 4.0050 8.6759 129.1117 56.4186 42.9551 177.1774 45 K 4.6151 8.7792 121.2827 55.6653 30.7393 175.9478 *47 I 4.2322 7.3933 122.1610 61.6089 39.6927 178.7078 48 M 4.1869 8.1640 118.7505 58.0651 32.1231 178.6059 49 G 3.7289 7.9677 105.4101 47.9707 0.0000 175.7806 50 V 3.6012 7.7333 120.9912 65.5672 30.9729 177.2380 51 M 4.1493 7.8688 117.4009 56.6680 31.8409 178.1689 52 S 4.3991 7.6055 113.5273 60.5156 63.5784 175.4959 53 L 4.0715 7.3939 122.2712 55.5741 41.5370 177.1875 54 G 3.8468 7.4239 106.3789 46.1771 0.0000 173.8934 55 I 2.8951 7.2933 120.9484 61.2283 36.2329 175.8329 56 A 4.7223 7.9743 128.0346 49.8622 20.3747 176.4898 57 K 3.9392 8.4365 120.6720 57.8923 32.5324 175.7837 58 G 3.8543 8.7713 108.6842 46.9592 0.0000 173.0879 59 A 5.0206 7.8667 118.9797 49.7110 22.2534 175.4837 60 E 5.3967 9.0541 117.3043 53.5987 33.0687 175.6198 61 I 5.1331 8.5739 116.4236 59.4107 42.1286 174.4708 62 T 4.9609 8.7254 118.2876 62.0552 71.7433 173.6140 63 I 4.6486 9.2428 129.9529 60.2959 38.2984 175.4021 64 S 4.9916 8.6121 121.9197 56.5712 66.1499 173.1282 65 A 5.3274 8.1384 121.9034 50.7156 22.3057 175.8681 66 S 4.4579 9.5758 116.2064 56.9649 66.5726 173.0230 67 G 3.8565 8.9984 108.6897 44.2253 0.0000 172.2215 68 A 4.0195 8.7071 124.9174 54.7498 18.1772 178.4533 69 D 4.9451 8.6652 115.2898 52.2200 40.8151 177.8197 70 E 4.0971 8.5100 119.7422 59.2365 29.4226 176.9628 71 N 4.3090 7.7607 117.4493 55.9281 39.5138 176.7218 72 D 4.3391 7.9567 119.2699 57.2212 40.8638 178.4843 73 A 2.5912 7.7382 121.6301 54.5841 18.3709 179.1439 74 L 3.8718 7.3615 117.9913 58.3211 42.1589 179.3689 75 N 4.2564 8.0609 115.9743 56.3127 38.5053 177.1488 76 A 4.0432 7.9810 122.2038 55.1217 18.3410 179.6617 77 L 3.8907 7.9540 117.2668 58.1804 41.6491 179.3050 78 E 4.0553 8.1707 118.3891 59.8356 29.4214 179.6361 79 E 3.9793 8.1045 117.9682 59.7367 29.5899 179.2473 80 T 3.8279 8.1181 115.8015 67.0837 68.5523 176.1348 81 M 3.7990 8.6351 121.6084 58.4797 31.9269 178.8718 82 K 4.3581 7.9308 117.5198 58.5585 32.9924 178.9651 83 S 4.0188 8.3017 115.1781 61.2705 62.3669 174.3151 84 E 4.1837 8.8345 118.2646 55.7803 29.4291 175.8010 85 G 3.8215 7.4880 104.8359 47.4406 0.0000 174.7983 86 L 4.1728 7.9151 120.0956 54.0858 41.8948 178.4248 87 G 4.5223 8.0938 108.5573 44.7003 0.0000 172.6324 88 E 4.6252 8.4351 117.6793 56.3518 29.6668 176.5236 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 2 A 8.12 4.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.93 4.74 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.75 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 4 K 8.40 4.20 0.00 1.89 1.78 0.00 1.92 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.56 1.04 7.81 5 T 8.66 5.19 4.22 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 1.28 0.00 0.00 6 F 9.11 5.03 0.00 2.95 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 7 K 8.49 5.27 0.00 1.82 1.96 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.36 7.81 8 V 8.63 4.10 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 0.68 0.00 0.00 1.02 0.00 0.00 9 T 9.00 4.37 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 1.36 0.00 0.00 10 A 7.97 4.06 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 11 D 8.87 4.36 0.00 2.68 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 12 S 7.97 4.21 0.00 3.86 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 13 G 7.62 3.79 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 0.00 0.00 0.00 14 I 7.62 4.05 1.63 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 1.14 0.72 0.78 0.00 0.00 15 H 7.73 4.69 0.00 3.11 3.09 0.00 5.77 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 16 A 8.41 3.86 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 17 R 8.73 3.87 0.00 1.92 1.96 0.00 3.25 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 18 P 0.00 4.20 0.00 2.31 2.09 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 19 A 7.90 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.75 4.44 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 1.20 0.00 0.00 21 V 8.14 3.68 2.21 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 0.99 0.00 0.00 0.96 0.00 0.00 22 L 7.80 3.90 0.00 1.75 1.78 0.83 0.85 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 23 V 7.50 4.32 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 1.12 0.00 0.00 0.95 0.00 0.00 24 Q 8.01 4.12 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 25 T 8.01 3.82 4.44 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 1.40 0.00 0.00 26 A 8.05 4.17 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 27 S 7.84 4.26 0.00 4.05 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 28 K 8.02 4.09 0.00 1.60 1.75 0.00 1.36 0.00 0.00 1.45 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 0.54 7.81 29 Y 6.83 4.70 0.00 3.06 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 30 D 9.37 4.48 0.00 2.91 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 A 7.88 4.26 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.87 4.54 0.00 2.65 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 33 V 8.45 4.98 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 1.03 0.00 0.00 1.08 0.00 0.00 34 N 9.29 5.63 0.00 2.62 2.67 0.00 0.00 6.16 6.42 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 35 L 8.96 4.94 0.00 1.68 1.45 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.08 5.10 0.00 2.08 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 0.00 2.38 2.38 0.00 37 Y 8.69 4.78 0.00 2.87 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 38 N 8.25 3.71 0.00 2.69 2.92 0.00 0.00 7.19 6.88 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 39 G 7.59 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 0.00 0.00 0.00 40 K 8.15 4.24 0.00 1.96 1.98 0.00 1.50 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.76 1.50 7.81 41 T 8.23 5.10 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 1.27 0.00 0.00 42 V 9.01 4.53 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 0.79 0.00 0.00 0.98 0.00 0.00 43 N 8.57 4.97 0.00 2.74 2.74 0.00 0.00 6.89 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.68 4.01 0.00 1.76 1.65 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.78 4.62 0.00 1.90 1.77 0.00 1.81 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.42 7.81 *47 I 7.39 4.23 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 1.41 1.02 0.90 0.00 0.00 48 M 8.16 4.19 0.00 1.99 2.12 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 2.60 2.60 0.00 49 G 7.97 3.73 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 0.00 0.00 0.00 50 V 7.73 3.60 2.04 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 0.98 0.00 0.00 0.90 0.00 0.00 51 M 7.87 4.15 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 52 S 7.61 4.40 0.00 4.04 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 0.00 53 L 7.39 4.07 0.00 1.46 1.52 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.42 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 0.00 0.00 0.00 55 I 7.29 2.90 1.51 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 -0.22 -0.02 0.61 0.00 0.00 56 A 7.97 4.72 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 57 K 8.44 3.94 0.00 1.91 1.78 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.68 7.81 58 G 8.77 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 0.00 0.00 0.00 59 A 7.87 5.02 1.53 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 0.00 0.00 60 E 9.05 5.40 0.00 1.93 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 2.33 2.15 0.00 61 I 8.57 5.13 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.95 1.03 0.00 0.00 62 T 8.73 4.96 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 1.29 0.00 0.00 63 I 9.24 4.65 2.06 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.92 0.00 0.00 64 S 8.61 4.99 0.00 3.84 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 65 A 8.14 5.33 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 66 S 9.58 4.46 0.00 3.87 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 67 G 9.00 3.86 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 0.00 0.00 0.00 68 A 8.71 4.02 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 69 D 8.67 4.95 0.00 3.07 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 70 E 8.51 4.10 0.00 2.36 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 0.00 2.54 2.47 0.00 71 N 7.76 4.31 0.00 2.72 2.85 0.00 0.00 7.12 8.08 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 72 D 7.96 4.34 0.00 2.71 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 73 A 7.74 2.59 1.03 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 0.00 0.00 74 L 7.36 3.87 0.00 1.63 1.65 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.06 4.26 0.00 2.98 2.83 0.00 0.00 6.85 8.12 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 76 A 7.98 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 77 L 7.95 3.89 0.00 1.86 1.67 0.89 0.74 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 78 E 8.17 4.06 0.00 2.34 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 2.77 2.79 0.00 79 E 8.10 3.98 0.00 2.25 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 2.36 2.64 0.00 80 T 8.12 3.83 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 1.19 0.00 0.00 81 M 8.64 3.80 0.00 1.81 2.26 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.32 0.00 82 K 7.93 4.36 0.00 1.97 2.14 0.00 1.37 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.47 7.81 83 S 8.30 4.02 0.00 3.92 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 84 E 8.83 4.18 0.00 1.98 1.90 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 0.00 2.28 2.28 0.00 85 G 7.49 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 86 L 7.92 4.17 0.00 1.72 1.44 0.84 0.69 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 87 G 8.09 4.52 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 88 E 8.44 4.63 0.00 1.90 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 2.27 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.