NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5092 8.3531 120.4215 54.3649 43.1259 175.7904 5 G 3.6169 7.9552 121.0756 45.4134 0.0000 169.7238 6 Y 4.7936 9.0019 124.2729 56.1579 40.8481 174.6807 7 F 4.5696 9.2114 122.4301 57.6733 40.0777 175.5729 8 E 4.8351 7.9573 119.0988 53.2609 32.9724 173.8423 9 P 4.2548 0.0000 0.0000 62.8692 32.2531 177.4989 10 T 3.4812 8.4470 112.6076 64.7597 68.4447 176.1448 11 Q 4.0469 7.8703 118.1259 58.0438 28.8526 176.2190 12 E 4.5431 7.8925 117.7432 55.8724 29.5376 175.4911 13 L 4.7646 7.7146 119.0620 51.8601 45.1894 177.4801 14 S 4.3245 8.6473 118.4137 58.7210 64.7521 175.1796 15 D 4.4349 8.6569 122.3677 57.4579 40.3150 178.8521 16 E 4.0160 8.0647 118.7936 59.7175 29.9052 178.5754 17 T 4.1233 7.6637 114.0901 66.5765 68.7159 176.7631 18 R 4.3540 8.2394 120.2734 59.0199 30.1109 178.8561 19 D 4.6817 8.2783 117.5857 54.9549 40.8817 177.8353 *21 H 4.6920 8.1999 121.4356 56.3176 31.6866 175.4368 22 R 3.7515 8.0309 118.0728 58.7617 29.7743 178.9730 23 A 3.7914 7.8607 120.8488 55.0374 18.4159 179.7968 24 I 3.6412 7.4950 117.8930 64.4484 37.3073 178.3859 25 I 3.6553 7.7210 119.5432 63.9366 37.6884 178.0892 26 S 4.8650 7.6394 117.6950 60.9302 62.5925 176.4214 27 L 3.9267 7.6601 122.7043 58.3398 42.0019 179.3447 28 R 3.9417 8.3229 118.2050 58.8744 29.8831 179.0915 29 E 3.9152 8.0639 118.6900 59.4610 29.6311 178.6496 30 E 4.0068 8.4186 118.9613 59.8894 29.5814 179.7663 31 L 4.0722 8.1505 118.6561 57.5092 41.6496 179.2090 32 E 3.8919 8.0378 118.8599 59.2066 29.5380 178.7319 33 A 3.8964 8.5321 121.2086 54.7921 18.2889 179.9012 34 V 3.6112 7.7576 117.0623 66.4125 31.7840 177.8120 35 D 4.3312 8.0604 117.7351 57.2292 40.9977 178.1851 36 L 4.0201 8.0205 119.5148 57.7819 41.7086 178.8797 37 Y 4.2271 8.1508 116.9744 61.0078 37.7342 178.0537 38 N 4.3720 8.5354 118.2160 56.7850 39.0405 177.0130 39 Q 4.0129 8.0884 119.3105 59.1298 28.7918 178.9696 40 R 4.0053 8.1426 119.0949 58.9248 29.8037 179.2522 41 V 3.5986 8.0114 118.0102 66.1829 31.6511 177.4353 42 N 4.4284 7.9229 114.6724 56.1331 38.8437 176.0110 43 A 4.3107 7.7662 120.9082 52.5002 19.6466 177.3176 44 C 3.9731 7.8416 117.8385 60.2527 32.1605 173.6336 45 K 4.1888 8.6543 125.8168 58.8219 32.7096 177.6084 46 D 4.5087 7.8481 118.4316 53.5674 42.5180 176.6799 47 K 3.9536 8.6347 126.6505 59.7851 32.3755 179.2401 48 E 3.9701 8.1699 118.3079 59.2848 29.4043 179.0915 49 L 3.9564 9.3262 121.4752 57.7329 42.1732 178.4950 50 K 3.7971 8.5153 120.0371 59.9164 31.9514 178.4294 51 A 4.0205 7.9744 120.5397 55.1021 18.2465 179.6542 52 I 3.5825 7.6361 117.9352 64.4127 37.1054 178.6858 53 L 3.7319 8.0651 119.5901 57.6773 41.4970 179.5094 54 A 3.8840 7.9750 120.7030 55.2157 18.3192 178.6741 55 H 3.8147 8.3066 117.0597 59.9845 29.8418 177.0451 56 N 4.2257 7.9218 117.7308 55.9855 37.8886 177.1592 57 R 3.9436 7.4273 120.2644 59.9606 29.9248 178.2421 58 D 4.4220 8.0326 118.2121 56.9608 40.8754 178.3177 59 E 3.9112 7.8764 119.5906 59.3140 29.5749 178.7214 60 E 3.9393 8.2229 118.5580 59.3036 29.2662 179.2363 61 K 3.8997 7.4827 116.5106 59.4982 32.2994 178.5202 62 E 4.0798 7.6984 117.8911 59.6096 29.3834 178.4290 63 H 4.2051 7.6790 114.4061 59.1254 29.1636 177.2186 64 A 4.1164 8.7721 122.3850 55.1016 18.1348 179.2352 65 A 3.8882 8.1272 119.4492 55.2977 18.2771 179.4914 *67 L 4.3495 7.7966 116.2312 54.8542 44.0342 178.8851 68 L 3.9858 8.0320 119.7445 58.1039 42.1143 178.3362 69 E 4.0015 7.8970 117.9189 59.2910 29.2683 178.6250 70 W 4.0849 8.1711 126.3225 60.6178 31.0581 177.2842 71 I 3.9057 8.2042 119.8898 64.6844 36.6176 178.5055 72 R 4.0577 8.3030 116.6049 59.6085 28.8936 178.9721 73 R 3.9863 7.7270 117.7348 57.8348 30.0538 176.8137 74 C 4.7565 7.5888 113.3300 57.3585 29.8569 174.5656 75 D 4.7212 7.8759 119.4437 51.8274 41.5740 173.0743 76 P 4.3725 0.0000 0.0000 65.2817 31.5827 177.5914 77 A 4.0258 7.9743 119.0658 54.9123 18.4033 179.2376 78 F 4.0384 8.1755 118.8719 61.0219 39.5960 176.8389 79 D 4.4010 9.4154 118.6814 57.5456 40.7936 178.5388 80 K 3.9783 8.1943 119.9251 59.5443 32.3587 178.7497 81 E 4.0407 7.9880 118.4777 58.8299 29.2550 179.1034 82 L 3.9279 7.6749 120.7228 58.1917 42.0605 178.9885 83 K 4.0748 7.7178 116.9032 59.4914 32.1147 178.2356 84 D 4.5002 7.6879 116.3643 55.2338 41.1089 176.5942 85 Y 4.5904 7.3126 113.6762 58.0442 40.4271 176.3158 86 L 3.9604 8.4184 119.7687 55.3095 42.2113 177.1136 87 F 3.8829 7.8603 117.5566 58.4435 36.9069 175.6586 88 T 4.4707 7.3704 110.3615 60.8378 69.8405 174.3175 89 N 4.9611 8.3774 117.4846 52.0386 38.2575 174.9056 90 K 4.1131 7.8709 118.3820 55.8532 33.2871 174.8145 91 P 4.2747 0.0000 0.0000 63.2060 31.2481 176.4187 92 I 4.0117 8.5808 117.4156 62.5004 38.1036 175.9505 93 A 4.8086 7.3912 122.4916 50.2189 21.1996 175.6970 94 H 4.3039 8.3687 115.6644 55.2037 28.6168 174.6436 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 D 8.35 4.51 0.00 2.56 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.96 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 0.00 0.00 0.00 6 Y 9.00 4.79 0.00 2.94 2.97 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 7 F 9.21 4.57 0.00 2.94 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 8 E 7.96 4.84 0.00 1.97 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 2.30 2.29 0.00 9 P 0.00 4.25 0.00 2.13 1.93 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.06 0.00 10 T 8.45 3.48 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 0.25 0.00 0.00 11 Q 7.87 4.05 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.49 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 12 E 7.89 4.54 0.00 2.14 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 2.25 0.00 13 L 7.71 4.76 0.00 1.70 1.56 1.02 0.95 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 14 S 8.65 4.32 0.00 4.07 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 15 D 8.66 4.43 0.00 2.74 2.81 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 16 E 8.06 4.02 0.00 2.01 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 2.35 2.46 0.00 17 T 7.66 4.12 4.43 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 1.28 0.00 0.00 18 R 8.24 4.35 0.00 2.00 2.11 0.00 3.32 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 19 D 8.28 4.68 0.00 2.93 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 *21 H 8.20 4.69 0.00 3.26 3.63 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.03 3.75 0.00 1.92 1.82 0.00 3.13 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 23 A 7.86 3.79 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 24 I 7.49 3.64 1.81 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 1.50 0.92 0.85 0.00 0.00 25 I 7.72 3.66 1.64 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.28 0.72 0.00 0.00 26 S 7.64 4.86 0.00 3.94 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 27 L 7.66 3.93 0.00 1.86 1.83 0.98 0.84 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 28 R 8.32 3.94 0.00 1.97 1.94 0.00 3.14 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 29 E 8.06 3.92 0.00 2.20 1.96 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 2.30 2.31 0.00 30 E 8.42 4.01 0.00 2.11 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 0.00 2.58 2.55 0.00 31 L 8.15 4.07 0.00 1.84 1.72 0.93 0.68 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 32 E 8.04 3.89 0.00 2.19 2.05 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 2.26 2.30 0.00 33 A 8.53 3.90 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 34 V 7.76 3.61 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 1.09 0.00 0.00 1.06 0.00 0.00 35 D 8.06 4.33 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.02 0.00 1.79 1.48 0.91 0.53 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 37 Y 8.15 4.23 0.00 3.10 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 38 N 8.54 4.37 0.00 3.05 3.00 0.00 0.00 7.19 6.24 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 39 Q 8.09 4.01 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 40 R 8.14 4.01 0.00 1.95 2.04 0.00 3.09 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 41 V 8.01 3.60 2.32 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 0.81 0.00 0.00 0.99 0.00 0.00 42 N 7.92 4.43 0.00 2.88 2.98 0.00 0.00 7.22 8.93 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 43 A 7.77 4.31 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 44 C 7.84 3.97 0.00 3.14 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 45 K 8.65 4.19 0.00 1.77 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.48 7.81 46 D 7.85 4.51 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 3.95 0.00 1.80 1.84 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.48 7.81 48 E 8.17 3.97 0.00 2.21 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 2.40 2.42 0.00 49 L 9.33 3.96 0.00 1.78 1.83 0.95 -0.55 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 50 K 8.52 3.80 0.00 1.99 1.99 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 51 A 7.97 4.02 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 52 I 7.64 3.58 1.98 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 1.47 0.65 0.87 0.00 0.00 53 L 8.07 3.73 0.00 1.91 1.80 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.98 3.88 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 55 H 8.31 3.81 0.00 3.23 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.92 4.23 0.00 1.68 2.54 0.00 0.00 6.74 7.80 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 57 R 7.43 3.94 0.00 1.95 2.09 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 58 D 8.03 4.42 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.91 0.00 2.09 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 2.22 2.26 0.00 60 E 8.22 3.94 0.00 2.09 2.15 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 2.59 2.72 0.00 61 K 7.48 3.90 0.00 2.03 1.90 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.63 7.81 62 E 7.70 4.08 0.00 2.05 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 2.34 2.37 0.00 63 H 7.68 4.21 0.00 3.46 3.34 0.00 5.74 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.77 4.12 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 65 A 8.13 3.89 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 0.00 0.00 *67 L 7.80 4.35 0.00 1.91 1.77 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.03 3.99 0.00 1.91 1.93 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.90 4.00 0.00 2.26 2.06 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 2.38 2.45 0.00 70 W 8.17 4.08 0.00 3.34 3.45 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 71 I 8.20 3.91 2.01 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 1.69 0.78 0.59 0.00 0.00 72 R 8.30 4.06 0.00 2.20 2.43 0.00 3.02 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.76 0.00 73 R 7.73 3.99 0.00 1.67 1.84 0.00 3.02 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 74 C 7.59 4.76 0.00 2.82 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 75 D 7.88 4.72 0.00 2.73 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 76 P 0.00 4.37 0.00 2.20 2.11 0.00 3.66 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 2.12 2.16 0.00 77 A 7.97 4.03 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 78 F 8.18 4.04 0.00 3.34 3.15 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 0.00 79 D 9.42 4.40 0.00 3.07 2.80 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 80 K 8.19 3.98 0.00 1.92 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.62 7.81 81 E 7.99 4.04 0.00 1.67 1.83 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 2.50 2.39 0.00 82 L 7.67 3.93 0.00 2.02 1.71 0.92 0.79 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 83 K 7.72 4.07 0.00 1.79 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.68 7.81 84 D 7.69 4.50 0.00 2.60 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 85 Y 7.31 4.59 0.00 2.90 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 86 L 8.42 3.96 0.00 1.81 1.21 0.97 0.80 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 87 F 7.86 3.88 0.00 3.23 3.15 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 0.00 88 T 7.37 4.47 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 1.28 0.00 0.00 89 N 8.38 4.96 0.00 2.80 2.93 0.00 0.00 6.08 7.13 0.00 0.00 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 K 7.87 4.11 0.00 1.88 1.85 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.43 7.81 91 P 0.00 4.27 0.00 2.21 2.14 0.00 3.77 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 2.00 1.97 0.00 92 I 8.58 4.01 1.93 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 1.38 0.60 1.12 0.00 0.00 93 A 7.39 4.81 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.37 4.30 0.00 3.27 3.30 0.00 5.76 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 * Residues marked with a * may have inaccurate shift predictions.