NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3657 8.2649 123.5981 51.5382 20.7878 176.6840 3 I 4.1523 7.8005 116.6882 59.1148 38.6549 173.0291 4 D 4.6787 8.3273 124.6736 52.8746 42.9874 176.9410 5 V 2.6851 8.3090 127.1213 64.8523 30.8548 178.0314 6 L 4.7146 7.9585 118.8990 56.0847 41.6054 178.1649 7 D 4.4956 7.8751 117.8919 55.4765 41.0147 177.9225 8 V 4.0256 7.2249 117.7009 63.1189 32.6830 175.7590 9 I 4.3237 7.5702 120.0153 58.3115 40.3308 175.3542 10 S 4.6476 8.2912 120.5437 57.8548 65.0442 174.6915 11 L 4.0437 8.5491 124.5694 58.7436 41.7338 179.2665 12 S 4.1294 8.0821 112.3147 61.3797 62.2189 176.1005 13 L 3.8694 7.7178 121.1269 57.7604 41.1090 179.1248 14 F 3.8068 7.7155 117.6082 60.7290 38.7017 178.0664 15 K 4.1229 8.2935 117.7351 59.5662 31.8846 179.3992 16 Q 4.0128 8.1198 118.4108 58.9165 28.3748 178.4790 17 Q 4.0497 8.2377 120.3124 58.9585 29.1560 177.9391 18 I 4.2128 7.3874 109.9828 59.5877 38.3681 175.0199 19 E 3.6950 7.9548 118.6263 57.6781 27.4680 174.8424 20 F 4.6320 8.5212 121.1445 57.0276 39.8387 175.1015 21 E 4.6262 8.1125 130.1104 56.4765 30.0192 175.6836 22 E 4.6925 7.3223 116.0567 54.8643 32.9279 175.8805 23 D 5.0698 8.5655 118.2599 54.4674 41.7856 176.7356 24 D 4.8253 8.1673 118.0150 53.6529 39.8569 176.6202 25 R 4.7516 7.8023 117.8534 55.7830 31.8524 176.9077 26 D 4.3714 8.4722 121.0723 57.5344 40.7239 178.1367 27 E 3.8460 8.0328 119.2260 59.0418 29.7426 178.3714 28 L 3.6279 7.7040 119.8288 58.1707 42.1230 178.7534 29 I 3.8069 7.8143 119.8656 64.7786 36.9504 178.5316 30 T 3.7038 8.0807 116.7387 66.3592 68.1713 176.3646 31 L 4.0351 7.8192 122.1262 58.4887 42.0434 178.5310 32 Y 4.4093 7.8188 116.4556 61.2393 37.8153 178.7130 33 A 3.6671 8.3792 121.8087 55.1012 18.2414 179.7341 34 Q 4.0416 8.4212 116.6932 58.9880 28.7548 178.8944 35 A 4.0649 8.4115 121.6960 55.1534 18.4215 179.3291 36 A 4.1131 8.4268 119.6200 55.5204 18.2596 179.6985 37 F 4.3197 8.3423 117.6640 61.5032 39.5970 176.4349 38 D 4.4515 8.4618 116.8598 57.4949 41.3217 177.2178 39 Y 4.3623 8.5289 120.2865 61.0027 38.7746 179.7008 40 C 4.0445 8.3775 115.6788 60.2428 27.0218 175.9784 *42 R 4.1786 7.9883 121.7830 56.0804 31.7331 177.9347 43 W 4.0677 8.0127 126.6005 60.3607 31.1803 176.9129 44 C 4.2551 8.7708 116.2705 60.6723 28.3111 173.1784 45 D 4.2298 7.1222 117.6646 55.1210 39.1024 174.1427 46 E 3.9728 7.0411 119.8641 53.5629 29.9352 174.0286 47 P 4.1630 0.0000 0.0000 65.3373 31.5441 177.9823 48 A 4.0334 8.2181 119.8733 53.3128 18.3029 176.9388 49 W 5.1299 7.2971 115.6675 55.2346 29.7242 176.1260 50 K 4.6248 9.3170 122.4487 55.9173 34.1706 176.6371 51 V 4.5552 7.7433 110.4210 58.7048 35.1617 176.0134 52 A 3.9261 8.7640 123.8360 55.6352 18.1029 179.8616 53 A 4.1145 7.8312 116.1383 54.3253 18.6867 178.1896 54 D 4.4243 7.9683 115.4220 56.3978 41.1972 177.0361 55 I 2.8882 6.9925 121.0374 59.8855 37.4901 174.9612 56 P 4.2574 0.0000 0.0000 61.7614 33.2654 177.2999 57 A 3.9022 8.3704 121.3791 55.4440 18.3777 180.1129 58 A 4.0009 7.9646 118.7296 55.1575 18.3869 179.9078 59 V 3.6444 7.6620 116.5787 65.9420 31.7134 178.1594 60 K 4.0378 8.0717 118.5405 59.3443 31.8770 179.4138 61 G 3.6245 8.2437 105.6778 47.7748 0.0000 175.5558 62 A 4.0134 8.0649 123.5516 54.7601 18.3615 179.6507 63 V 3.7426 8.1709 117.0870 66.5130 31.5804 178.2763 64 L 4.2287 8.1531 118.4448 57.7268 41.4208 179.5576 65 L 4.0288 8.0294 118.9953 57.8556 41.3900 179.7812 66 V 3.5755 7.8267 116.8550 65.7933 31.5676 177.3447 67 F 4.2967 8.4132 119.2417 61.5539 39.5148 176.7563 68 A 3.7912 8.1920 120.2156 54.6814 18.0540 179.5094 69 D 4.4103 7.8659 114.2160 54.9563 41.0540 177.8526 *71 F 3.8667 7.9671 120.7699 57.3857 40.9027 175.8699 72 E 3.8724 8.0394 118.5710 58.0878 29.4594 176.0719 73 H 4.6962 7.8076 115.4416 54.1731 29.2653 173.5239 74 R 4.2886 8.2834 122.3130 55.9951 30.7436 176.8213 75 T 4.6076 7.3471 108.1767 59.2544 71.2436 175.0693 76 A 4.0695 8.5336 125.8856 54.3829 18.7920 177.7416 77 Q 4.6598 7.3516 110.6838 54.0322 32.5014 174.7519 78 S 4.7604 8.1402 113.8751 56.4237 66.0905 174.1981 79 E 4.1024 8.7391 120.5428 58.0965 29.6769 177.4366 80 V 4.3951 7.3201 111.6666 58.8353 33.9509 175.5377 81 Q 3.8591 8.5441 123.1435 56.2049 29.0931 175.8928 82 L 4.4995 7.9118 121.4657 53.0602 43.7401 175.3658 83 Y 4.6470 8.0672 119.7529 55.6302 40.1436 175.3791 84 E 3.8881 8.7489 125.3948 56.1171 30.5115 175.7340 85 N 4.5072 8.7675 124.8176 52.7448 38.8883 175.0125 86 A 4.0384 8.7447 128.9400 55.1370 18.0716 178.5764 87 A 3.9621 8.2005 118.5654 55.2300 18.4021 179.4884 88 A 4.0494 7.6137 117.9104 55.4041 18.6286 179.1622 89 E 3.8057 7.9692 115.8383 58.7145 30.9809 178.7794 90 R 4.2631 7.7783 119.2640 56.2298 26.0539 176.5152 *93 F 5.1056 7.8462 123.6197 58.1149 41.7029 176.7013 94 I 3.8709 7.8160 119.1797 63.4180 37.8333 175.8241 95 H 5.0808 8.0715 115.6457 55.2847 29.7350 173.4880 96 R 3.9866 7.5979 119.8038 56.0049 30.4729 175.9995 97 N 4.3216 8.1366 121.3039 53.8594 38.8190 174.5891 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 8.26 4.37 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 I 7.80 4.15 2.27 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 1.01 0.00 0.00 4 D 8.33 4.68 0.00 2.67 2.68 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 0.00 0.00 0.00 0.00 5 V 8.31 2.69 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 0.87 0.00 0.00 0.98 0.00 0.00 6 L 7.96 4.71 0.00 1.71 1.76 0.90 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 7 D 7.88 4.50 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.22 4.03 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 0.81 0.00 0.00 0.75 0.00 0.00 9 I 7.57 4.32 1.18 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.67 -0.20 0.00 0.00 10 S 8.29 4.65 0.00 4.02 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 11 L 8.55 4.04 0.00 1.80 1.75 0.93 0.79 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 12 S 8.08 4.13 0.00 3.93 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 13 L 7.72 3.87 0.00 1.63 1.43 0.77 1.28 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 14 F 7.72 3.81 0.00 3.01 2.35 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 15 K 8.29 4.12 0.00 2.04 2.17 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.63 1.65 7.81 16 Q 8.12 4.01 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 17 Q 8.24 4.05 0.00 2.02 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.81 2.62 0.00 18 I 7.39 4.21 1.43 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.84 0.78 0.00 0.00 19 E 7.95 3.70 0.00 2.17 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 2.28 2.43 0.00 20 F 8.52 4.63 0.00 2.69 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 21 E 8.11 4.63 0.00 1.84 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 2.19 2.33 0.00 22 E 7.32 4.69 0.00 1.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 23 D 8.57 5.07 0.00 2.67 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 24 D 8.17 4.83 0.00 2.84 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 25 R 7.80 4.75 0.00 1.90 1.88 0.00 3.32 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 26 D 8.47 4.37 0.00 2.70 2.73 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 27 E 8.03 3.85 0.00 2.01 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 2.31 2.32 0.00 28 L 7.70 3.63 0.00 1.63 1.61 0.57 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.81 3.81 1.94 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.57 1.04 0.00 0.00 30 T 8.08 3.70 4.34 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 1.16 0.00 0.00 31 L 7.82 4.04 0.00 1.72 1.61 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.82 4.41 0.00 3.33 2.86 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 33 A 8.38 3.67 0.32 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 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.42 4.04 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 35 A 8.41 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 4.11 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.32 0.00 3.17 3.36 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 38 D 8.46 4.45 0.00 2.89 2.99 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 0.00 0.00 0.00 39 Y 8.53 4.36 0.00 3.21 3.23 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 40 C 8.38 4.04 0.00 3.09 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 *42 R 7.99 4.18 0.00 1.81 1.97 0.00 3.28 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.56 0.00 43 W 8.01 4.07 0.00 2.92 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 44 C 8.77 4.26 0.00 3.33 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 45 D 7.12 4.23 0.00 2.92 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.04 3.97 0.00 1.16 1.12 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 1.47 1.47 0.00 47 P 0.00 4.16 0.00 1.97 2.01 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 48 A 8.22 4.03 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 49 W 7.30 5.13 0.00 3.48 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 50 K 9.32 4.62 0.00 1.77 1.86 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.56 7.81 51 V 7.74 4.56 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 0.80 0.00 0.00 1.03 0.00 0.00 52 A 8.76 3.93 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 53 A 7.83 4.11 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 54 D 7.97 4.42 0.00 2.92 2.83 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 55 I 6.99 2.89 1.74 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.32 0.72 0.00 0.00 56 P 0.00 4.26 0.00 1.77 1.67 0.00 2.54 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 57 A 8.37 3.90 1.28 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 0.00 0.00 0.00 58 A 7.96 4.00 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 59 V 7.66 3.64 2.01 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 1.19 0.00 0.00 1.00 0.00 0.00 60 K 8.07 4.04 0.00 1.98 1.76 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.50 7.81 61 G 8.24 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 62 A 8.06 4.01 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 63 V 8.17 3.74 2.38 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 1.47 0.00 0.00 1.28 0.00 0.00 64 L 8.15 4.23 0.00 1.96 1.78 0.83 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.03 4.03 0.00 1.93 1.75 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.83 3.58 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 0.75 0.00 0.00 0.99 0.00 0.00 67 F 8.41 4.30 0.00 3.25 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 68 A 8.19 3.79 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.41 0.00 2.87 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 *71 F 7.97 3.87 0.00 2.40 2.83 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 72 E 8.04 3.87 0.00 1.49 1.71 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 2.53 2.35 0.00 73 H 7.81 4.70 0.00 3.11 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.28 4.29 0.00 1.70 1.89 0.00 3.04 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.40 0.00 75 T 7.35 4.61 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 1.17 0.00 0.00 76 A 8.53 4.07 1.28 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 0.00 0.00 0.00 77 Q 7.35 4.66 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 78 S 8.14 4.76 0.00 3.85 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 79 E 8.74 4.10 0.00 1.96 2.03 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 2.29 2.30 0.00 80 V 7.32 4.40 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 0.73 0.00 0.00 0.90 0.00 0.00 81 Q 8.54 3.86 0.00 1.57 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 82 L 7.91 4.50 0.00 1.44 1.41 0.73 0.52 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 83 Y 8.07 4.65 0.00 2.95 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 84 E 8.75 3.89 0.00 1.94 1.89 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 2.29 2.29 0.00 85 N 8.77 4.51 0.00 2.79 2.72 0.00 0.00 7.08 8.70 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 86 A 8.74 4.04 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.20 3.96 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 88 A 7.61 4.05 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.97 3.81 0.00 1.90 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 2.35 2.32 0.00 90 R 7.78 4.26 0.00 1.93 1.92 0.00 3.20 0.00 0.00 3.08 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 *93 F 7.85 5.11 0.00 3.53 3.27 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 94 I 7.82 3.87 2.19 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 1.35 0.83 0.91 0.00 0.00 95 H 8.07 5.08 0.00 3.39 3.68 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.60 3.99 0.00 1.56 1.74 0.00 2.97 0.00 0.00 2.79 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00 97 N 8.14 4.32 0.00 2.69 2.47 0.00 0.00 7.01 7.07 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 * Residues marked with a * may have inaccurate shift predictions.