NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6174 8.3349 115.5524 58.3421 63.5167 172.6294 3 D 4.9279 8.8003 127.2614 50.9339 43.7074 173.8558 4 T 4.7078 8.4838 112.3739 59.8835 71.1633 172.7815 5 L 4.5021 8.8440 129.5113 53.6853 44.2004 174.4403 6 Y 5.1456 8.9740 124.3774 56.3778 40.4245 174.5962 7 I 5.0001 8.6641 125.3226 59.4383 40.1352 174.7974 8 K 4.8729 9.1805 128.4777 54.6669 35.3322 174.5247 *10 D 4.5866 8.4110 122.7905 54.4210 41.7541 175.3867 11 Q 4.4531 8.5938 120.4611 58.6580 30.4516 175.3563 12 A 5.1312 7.6438 117.8035 50.7924 22.4235 176.0297 13 V 4.3987 8.9768 121.0899 61.4258 35.5588 173.4079 14 E 4.8731 8.7652 127.0480 55.3314 30.8187 175.4949 15 I 4.5260 9.0463 125.5057 59.8366 40.3583 176.2024 16 T 4.5456 8.6882 118.4075 61.8017 68.7767 173.9718 17 K 4.7544 7.7181 119.4516 55.0747 34.4960 176.2524 18 K 4.3844 8.5015 118.7633 58.7189 33.0279 177.1303 19 Q 5.2374 8.1048 115.5541 54.2351 32.4073 174.8585 20 V 4.7016 8.6135 119.3507 61.3566 34.4500 175.3586 21 T 4.6457 9.1633 118.4125 60.3000 70.5592 175.6859 22 V 3.6837 8.6137 121.5619 66.5642 30.9930 178.3354 23 G 3.6278 7.9600 103.9511 47.9776 0.0000 175.0900 24 D 4.4756 7.8417 119.7340 56.3965 40.8345 177.4913 25 V 4.1202 7.6957 117.0838 63.2260 32.9248 175.0132 26 A 4.8425 7.5534 118.5278 50.7204 22.1332 175.3927 27 K 4.6044 9.0943 121.3958 55.1769 34.7512 175.3230 28 L 5.9123 8.1213 122.5860 52.5951 45.9076 175.7648 29 Q 4.6847 8.3789 119.4714 54.8304 33.5085 173.3404 30 C 4.9387 8.3040 118.6741 58.6522 33.7509 173.8395 31 K 3.9143 9.1458 126.7811 58.7888 32.3210 175.9274 32 N 4.6754 7.8232 117.9343 51.7884 38.3079 175.0704 33 K 4.0388 8.4396 126.6233 59.0741 32.0734 178.5859 34 N 4.3025 8.3938 116.7117 56.5476 38.4224 176.9784 35 I 3.3690 7.5577 120.8906 64.6233 37.1518 178.6130 36 T 4.0028 7.7423 109.8366 64.3817 68.6824 176.3949 37 N 4.3004 8.4126 119.1701 56.1827 38.9372 176.9296 38 R 4.0885 8.2052 120.0209 59.3925 30.0364 178.3814 39 L 4.1244 7.9181 118.9668 58.0857 42.5454 178.6568 40 K 4.0980 8.3232 118.7747 59.0982 33.3119 176.8678 41 S 4.8529 7.1775 117.2870 56.5502 61.2807 172.8441 *43 K 4.0625 7.5891 121.2202 56.0574 33.4517 174.3614 44 L 4.6521 8.6982 126.8407 56.2318 44.3981 175.9143 45 L 4.6634 7.5638 117.8840 53.9499 45.7302 173.7899 46 E 5.0090 8.1720 122.7306 54.5922 32.9510 174.3465 47 D 3.9826 7.9764 125.4117 53.7989 42.8526 176.5742 48 T 4.2497 7.7680 114.0897 61.7304 65.8116 176.8330 49 T 3.0193 6.4891 108.6357 60.7595 73.1195 175.1935 50 K 3.9034 8.2333 122.7304 58.4629 32.7084 177.5111 51 G 3.7713 7.5378 108.5644 44.3003 0.0000 173.4133 52 K 4.2793 8.6039 126.1019 56.2962 32.6031 176.3068 53 K 4.7851 8.9064 125.3748 54.7781 36.7916 174.2968 54 R 5.3244 8.4219 120.1992 54.6070 32.5790 175.2359 55 Y 4.8706 9.6644 120.5330 56.0964 42.5794 174.1489 56 I 4.9988 8.5108 120.7052 59.3220 40.7210 174.4661 57 V 4.4662 8.7272 129.3325 61.1618 33.8126 174.3295 58 S 5.2405 8.5039 122.0072 55.5441 64.5348 174.6641 59 I 3.9500 8.1560 128.3087 60.6278 37.5870 177.6501 *61 K 4.2690 8.0688 121.1688 56.3830 33.9943 176.5251 62 I 3.9438 7.3056 118.7550 64.3420 37.5129 177.5801 63 I 3.8583 8.0729 121.2600 64.5623 37.2031 179.6801 64 E 4.0924 8.1231 119.3113 56.3201 29.1215 178.2832 *66 A 4.5306 8.2105 121.1718 51.9662 20.5561 179.5402 67 D 4.4136 8.4781 114.7038 57.6544 40.9670 178.1988 68 Q 4.0729 7.9490 118.8940 58.4144 29.3104 176.7649 69 T 4.0056 7.5580 106.5976 62.2649 69.8464 174.7291 70 F 4.9591 7.7197 119.1568 55.2564 41.3870 174.7337 71 Q 4.4012 8.5919 120.6419 56.2106 30.6463 175.4843 72 N 4.0895 8.6793 117.1099 54.8468 35.7883 174.0062 73 V 4.7896 7.4619 115.7261 61.2141 34.4695 175.0730 74 D 4.8034 9.3479 128.7507 53.1952 42.5362 175.6435 75 I 4.5058 8.2360 124.1979 60.2507 38.9418 174.9561 76 Q 4.4258 8.9631 128.1743 54.2332 31.2450 173.7119 77 N 5.0485 8.8127 126.4223 53.3535 39.0417 174.1382 78 I 4.2175 9.3023 127.7297 61.9893 39.0501 176.7298 79 G 4.0834 7.8107 113.1495 45.0839 0.0000 172.4014 80 E 4.3552 8.6212 123.8157 56.4275 30.6643 176.0664 81 T 4.6458 8.3174 107.3393 61.6493 71.0344 173.6012 82 E 5.1592 8.0598 121.3298 54.7312 34.3266 174.0219 83 C 5.0186 9.0177 122.8983 57.6181 34.9675 172.8842 84 V 4.3389 8.8742 127.7446 62.4872 32.5498 174.6172 85 V 4.6107 9.1182 128.9457 61.1818 33.5649 173.7881 86 E 5.0670 8.8085 129.2734 54.4902 31.6658 174.7644 87 F 5.0758 9.7644 127.3963 57.2353 40.1126 176.0139 88 K 4.5208 9.1585 121.2647 56.4253 35.4438 174.3658 89 T 4.5434 8.1224 114.0618 61.0058 69.2557 173.2874 90 P 5.1793 0.0000 0.0000 63.8062 30.8458 175.5346 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 S 8.33 4.62 0.00 3.89 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 3 D 8.80 4.93 0.00 2.52 2.44 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 0.00 4 T 8.48 4.71 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 1.13 0.00 0.00 5 L 8.84 4.50 0.00 1.56 1.40 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.97 5.15 0.00 2.89 2.84 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 7 I 8.66 5.00 1.89 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 1.12 0.92 0.93 0.00 0.00 8 K 9.18 4.87 0.00 1.78 1.64 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 *10 D 8.41 4.59 0.00 2.72 2.62 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 11 Q 8.59 4.45 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 12 A 7.64 5.13 1.18 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 0.00 0.00 13 V 8.98 4.40 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 0.91 0.00 0.00 0.96 0.00 0.00 14 E 8.77 4.87 0.00 1.86 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 2.24 2.31 0.00 15 I 9.05 4.53 1.27 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 0.85 0.67 0.95 0.00 0.00 16 T 8.69 4.55 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 1.23 0.00 0.00 17 K 7.72 4.75 0.00 1.84 1.77 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.46 7.81 18 K 8.50 4.38 0.00 1.76 1.81 0.00 1.50 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.52 7.81 19 Q 8.10 5.24 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 20 V 8.61 4.70 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 1.04 0.00 0.00 0.95 0.00 0.00 21 T 9.16 4.65 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 1.22 0.00 0.00 22 V 8.61 3.68 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 1.13 0.00 0.00 0.99 0.00 0.00 23 G 7.96 3.63 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 0.00 0.00 0.00 24 D 7.84 4.48 0.00 2.87 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 25 V 7.70 4.12 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 0.76 0.00 0.00 0.90 0.00 0.00 26 A 7.55 4.84 1.20 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 0.00 0.00 27 K 9.09 4.60 0.00 1.77 1.67 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.55 7.81 28 L 8.12 5.91 0.00 1.52 1.50 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.38 4.68 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 30 C 8.30 4.94 0.00 2.88 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 31 K 9.15 3.91 0.00 1.79 1.83 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 32 N 7.82 4.68 0.00 2.80 2.65 0.00 0.00 7.24 6.02 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 33 K 8.44 4.04 0.00 1.88 1.85 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.59 7.81 34 N 8.39 4.30 0.00 2.86 2.92 0.00 0.00 7.17 7.34 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 35 I 7.56 3.37 1.69 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.67 0.06 0.00 0.00 36 T 7.74 4.00 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 1.19 0.00 0.00 37 N 8.41 4.30 0.00 2.88 2.95 0.00 0.00 6.96 7.64 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 38 R 8.21 4.09 0.00 2.06 2.43 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 39 L 7.92 4.12 0.00 1.97 1.75 1.08 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.32 4.10 0.00 2.03 2.17 0.00 1.36 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.51 7.81 41 S 7.18 4.85 0.00 4.04 3.88 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 *43 K 7.59 4.06 0.00 1.74 1.75 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 44 L 8.70 4.65 0.00 1.64 1.82 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.56 4.66 0.00 1.74 1.42 0.54 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.17 5.01 0.00 1.89 1.62 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 2.10 2.25 0.00 47 D 7.98 3.98 0.00 1.61 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 0.00 0.00 0.00 48 T 7.77 4.25 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 1.26 0.00 0.00 49 T 6.49 3.02 4.21 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 1.17 0.00 0.00 50 K 8.23 3.90 0.00 1.75 1.95 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 51 G 7.54 3.77 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 0.00 0.00 0.00 52 K 8.60 4.28 0.00 1.71 2.12 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.47 7.81 53 K 8.91 4.79 0.00 1.97 1.70 0.00 1.42 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.14 1.36 7.81 54 R 8.42 5.32 0.00 1.66 1.80 0.00 3.21 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 55 Y 9.66 4.87 0.00 2.91 2.90 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 0.00 0.00 0.00 56 I 8.51 5.00 1.91 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 1.26 0.80 0.95 0.00 0.00 57 V 8.73 4.47 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 0.98 0.00 0.00 0.97 0.00 0.00 58 S 8.50 5.24 0.00 3.96 3.71 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 59 I 8.16 3.95 1.88 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 1.35 1.07 0.97 0.00 0.00 *61 K 8.07 4.27 0.00 1.80 1.94 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 62 I 7.31 3.94 2.01 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 1.31 0.66 0.94 0.00 0.00 63 I 8.07 3.86 1.88 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 1.19 0.78 0.92 0.00 0.00 64 E 8.12 4.09 0.00 2.00 1.92 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 2.38 2.32 0.00 *66 A 8.21 4.53 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 67 D 8.48 4.41 0.00 2.89 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 68 Q 7.95 4.07 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 69 T 7.56 4.01 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 0.96 0.00 0.00 70 F 7.72 4.96 0.00 3.04 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 71 Q 8.59 4.40 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 72 N 8.68 4.09 0.00 2.95 2.87 0.00 0.00 6.53 7.68 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 73 V 7.46 4.79 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 0.66 0.00 0.00 0.76 0.00 0.00 74 D 9.35 4.80 0.00 2.58 2.49 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 75 I 8.24 4.51 1.84 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 1.22 0.33 0.88 0.00 0.00 76 Q 8.96 4.43 0.00 1.72 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 77 N 8.81 5.05 0.00 2.78 2.73 0.00 0.00 7.13 7.94 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 78 I 9.30 4.22 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.10 0.93 0.00 0.00 79 G 7.81 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 80 E 8.62 4.36 0.00 1.98 1.92 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 2.32 2.24 0.00 81 T 8.32 4.65 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 1.27 0.00 0.00 82 E 8.06 5.16 0.00 1.86 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 2.29 2.23 0.00 83 C 9.02 5.02 0.00 3.01 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 84 V 8.87 4.34 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 0.91 0.00 0.00 0.94 0.00 0.00 85 V 9.12 4.61 2.13 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 0.40 0.00 0.00 0.89 0.00 0.00 86 E 8.81 5.07 0.00 2.06 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 0.00 2.20 2.29 0.00 87 F 9.76 5.08 0.00 3.23 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 88 K 9.16 4.52 0.00 1.68 1.80 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.41 7.81 89 T 8.12 4.54 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 1.23 0.00 0.00 90 P 0.00 5.18 0.00 2.11 1.92 0.00 3.84 0.00 0.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.