NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7496 8.1633 120.2779 55.3571 34.2542 173.8515 2 K 4.7134 8.9276 119.4742 53.9145 37.0627 173.6114 3 K 4.7515 9.9657 126.8002 55.3465 34.6582 174.8272 4 I 4.7938 9.1767 128.7192 59.6030 39.6084 174.0717 5 E 5.0968 9.3459 128.9830 54.3503 32.0695 174.2619 6 A 4.9532 8.9123 129.2982 50.0652 22.3097 174.6248 7 I 4.7900 8.3956 124.0389 59.6998 39.1874 175.0027 8 I 4.9054 8.7915 120.4195 58.3007 41.7117 175.0086 9 K 4.3452 8.1942 121.3513 55.4997 32.7734 176.4610 10 P 4.2262 0.0000 0.0000 65.9632 31.0590 178.9074 11 F 4.4152 8.1975 111.1457 59.2538 38.1690 176.5849 12 K 4.0305 7.2305 117.9015 56.6720 31.8970 178.2625 13 L 3.8787 7.6890 122.2563 58.4883 41.9799 178.6078 14 D 4.3381 8.0289 118.0493 57.3233 40.7143 178.5360 15 E 3.9364 8.0612 118.5955 59.4515 29.5734 179.4352 16 V 3.5293 7.8513 118.2882 65.6964 31.5886 177.9224 17 K 3.8937 8.2794 119.6594 59.6091 32.0467 178.5382 18 D 4.3142 8.2891 118.9278 57.3904 40.6448 178.5236 19 A 4.1655 8.2424 121.5001 55.2950 18.3063 179.7562 20 L 3.9413 8.1136 117.4962 57.8470 41.7014 179.7925 21 V 3.6048 7.8950 118.2463 65.9761 31.1975 177.8208 22 E 4.0266 8.1278 117.7836 59.1473 29.3463 178.4195 23 I 4.2867 7.2361 110.5178 60.8665 37.8724 176.4291 24 G 3.8931 7.7826 107.5453 45.8136 0.0000 173.8880 25 I 3.8881 7.5604 121.1841 60.8280 37.3692 176.6486 26 G 3.7324 8.8319 115.2821 48.0333 0.0000 173.4270 27 G 4.2385 7.5712 105.8971 44.7302 0.0000 171.2849 28 M 4.9207 8.0440 115.1119 54.4698 33.9827 173.9091 29 T 4.6733 8.8088 117.2434 61.7931 71.6388 173.3008 30 V 4.9590 8.4183 125.1199 61.4186 34.3378 174.6509 31 T 4.7391 8.7170 123.0379 61.7095 72.6409 172.7800 32 E 4.5536 8.7583 124.8904 56.1624 30.5697 176.1780 33 V 4.5852 8.5106 116.5384 59.8218 36.8786 174.0823 34 K 5.0179 8.1227 119.3121 55.3761 35.8174 176.2757 35 G 4.2513 9.2554 109.1612 46.0106 0.0000 172.2913 36 F 5.0085 8.1269 119.1593 56.7000 41.9522 174.9837 *54 D 4.2763 8.5536 118.6088 53.8236 41.5673 174.3368 55 F 5.1576 8.5980 120.1544 56.7670 40.2845 175.3595 56 L 5.0717 8.9555 125.9917 52.0201 44.5498 174.2585 57 P 4.8868 0.0000 0.0000 63.1637 32.4368 175.3413 58 K 4.8238 9.2033 121.1525 55.0229 37.6640 174.8410 59 V 4.7454 8.9319 120.4482 61.1372 34.6399 173.8772 60 K 4.9040 9.0208 129.3968 54.8976 34.1360 174.7173 61 I 4.9826 8.9003 128.3231 59.5580 40.2619 174.4030 62 E 5.1978 9.2401 125.4016 54.7463 33.0653 175.3637 63 V 4.7526 8.7446 116.3190 59.5364 36.5422 174.4865 64 V 4.7764 8.3951 122.5515 61.3897 33.7677 174.8587 65 V 4.6645 8.7738 119.9845 59.2709 36.7029 175.2372 66 R 4.3320 8.4287 119.9976 56.1012 30.4307 177.6746 67 D 4.4052 8.9526 121.2552 57.8544 40.5887 179.0962 68 E 4.1352 8.1343 115.2786 58.1887 30.3230 177.4654 69 D 4.7044 8.1149 119.3746 54.3624 41.4420 178.1898 70 V 3.5735 7.3736 119.6312 66.2945 31.4427 177.5434 71 E 3.9405 8.1730 117.5074 59.3843 29.3410 179.2151 72 K 3.9071 7.9836 119.0754 59.4162 32.3343 178.8994 73 V 3.5634 7.6813 118.1258 65.8860 31.3980 178.1516 74 V 3.5609 8.0609 118.2968 66.0289 31.3258 177.7569 75 E 3.9342 8.3925 118.4743 59.8186 29.3588 179.4960 76 T 3.8604 7.9682 115.5765 66.7188 68.4531 176.7977 77 I 3.6749 7.8363 121.6335 64.1964 37.2470 178.6227 78 V 3.5216 7.9276 119.1617 66.0571 31.1884 178.0706 79 K 3.9235 8.0973 117.0671 59.9817 31.9662 179.0967 80 T 4.0761 7.8736 114.5064 65.7705 68.6156 176.1706 81 A 4.3443 7.8968 120.4564 51.4871 19.7347 177.1385 82 Q 4.2251 7.4915 119.5147 56.1725 29.4724 175.7093 83 T 4.4623 10.0766 114.8247 60.9535 70.5626 175.1662 84 G 3.9593 8.8237 110.0393 45.1471 0.0000 173.6221 85 R 4.4311 7.0796 118.1473 54.3846 31.5857 176.3492 86 V 3.6298 7.9763 119.1230 64.5125 31.0353 176.1225 87 G 4.0149 8.9341 113.2927 45.7982 0.0000 175.0184 88 D 4.3595 7.9083 120.3960 55.6094 41.0038 175.4961 89 G 4.2060 7.5871 103.0257 44.9097 0.0000 172.2078 90 K 4.6511 8.0275 115.6123 54.6986 36.9972 175.6233 91 I 4.6008 7.9751 121.4277 59.5010 40.1763 174.9855 92 F 5.2258 9.2902 126.0507 55.7721 42.0364 174.3544 93 I 4.8828 8.5573 123.5021 59.7525 38.9579 175.0188 94 I 4.7671 8.7004 128.1966 58.4775 40.6738 173.4413 95 P 4.7040 0.0000 0.0000 62.7865 32.2777 175.6309 96 V 4.4026 8.0159 122.0956 61.4355 32.9951 175.3792 97 E 4.2238 9.0123 127.0309 57.9573 30.1005 175.8655 98 D 4.4489 7.2304 114.4835 53.3337 43.9712 174.5889 99 V 4.5645 7.8730 123.0732 61.1320 35.0945 174.0265 100 I 4.9318 8.2904 126.9389 59.4769 40.5220 174.7247 101 R 4.2286 9.2521 128.1937 55.2783 30.3863 177.0912 102 I 3.6575 8.5944 128.3189 64.4559 37.5072 177.4742 103 R 4.0438 8.1798 119.3914 58.7649 29.9389 176.8815 104 T 4.3440 8.0284 105.0328 60.7487 70.5550 175.2007 105 G 3.9544 8.8547 110.0196 44.9595 0.0000 173.6209 106 E 4.0856 7.9391 119.7977 56.5642 30.0689 176.1745 107 R 5.0588 8.0305 119.4171 54.3948 35.1551 176.5526 108 G 3.8724 8.7021 107.8104 46.4258 0.0000 176.1229 109 E 3.9629 8.9532 118.9654 59.7559 29.4860 179.1594 110 Q 4.0739 7.8390 115.8414 57.6833 28.8067 176.5916 111 A 4.4719 8.3203 119.6335 50.8296 19.9249 176.6393 112 I 3.5524 7.3928 114.7013 61.1962 39.0265 173.4256 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 1 M 8.16 4.75 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 8.93 4.71 0.00 1.61 1.63 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.60 7.81 3 K 9.97 4.75 0.00 1.80 1.68 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 I 9.18 4.79 1.86 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 1.12 0.77 0.89 0.00 0.00 5 E 9.35 5.10 0.00 2.05 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 2.25 0.00 6 A 8.91 4.95 1.10 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 0.00 0.00 7 I 8.40 4.79 1.74 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.18 0.86 0.00 0.00 8 I 8.79 4.91 1.72 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 1.32 0.96 0.81 0.00 0.00 9 K 8.19 4.35 0.00 1.37 1.60 0.00 1.71 0.00 0.00 2.08 0.00 0.00 3.02 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.56 1.49 7.81 10 P 0.00 4.23 0.00 2.23 2.15 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 11 F 8.20 4.42 0.00 3.16 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 12 K 7.23 4.03 0.00 1.61 1.64 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.30 1.15 7.81 13 L 7.69 3.88 0.00 1.76 1.72 0.89 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.03 4.34 0.00 2.82 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 15 E 8.06 3.94 0.00 2.11 1.98 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 2.42 2.39 0.00 16 V 7.85 3.53 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 0.95 0.00 0.00 0.91 0.00 0.00 17 K 8.28 3.89 0.00 1.86 1.97 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.62 7.81 18 D 8.29 4.31 0.00 2.90 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 19 A 8.24 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 20 L 8.11 3.94 0.00 1.83 1.71 0.89 0.64 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 21 V 7.89 3.60 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 1.03 0.00 0.00 0.92 0.00 0.00 22 E 8.13 4.03 0.00 2.23 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 2.34 2.48 0.00 23 I 7.24 4.29 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 1.65 0.66 0.90 0.00 0.00 24 G 7.78 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 25 I 7.56 3.89 1.96 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 1.37 0.84 0.94 0.00 0.00 26 G 8.83 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 27 G 7.57 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 0.00 0.00 0.00 0.00 28 M 8.04 4.92 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 29 T 8.81 4.67 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 30 V 8.42 4.96 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 0.80 0.00 0.00 0.91 0.00 0.00 31 T 8.72 4.74 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 1.19 0.00 0.00 32 E 8.76 4.55 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 33 V 8.51 4.59 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 0.73 0.00 0.00 0.94 0.00 0.00 34 K 8.12 5.02 0.00 1.27 1.50 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.70 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.35 7.81 35 G 9.26 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 0.00 0.00 0.00 0.00 36 F 8.13 5.01 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 *54 D 8.55 4.28 0.00 2.71 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 55 F 8.60 5.16 0.00 3.16 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.96 5.07 0.00 1.67 1.63 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.89 0.00 2.10 2.08 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 58 K 9.20 4.82 0.00 1.60 1.80 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.52 7.81 59 V 8.93 4.75 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 0.91 0.00 0.00 0.91 0.00 0.00 60 K 9.02 4.90 0.00 1.82 1.62 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.37 7.81 61 I 8.90 4.98 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.88 0.00 0.00 62 E 9.24 5.20 0.00 1.84 1.79 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 2.22 2.25 0.00 63 V 8.74 4.75 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 0.82 0.00 0.00 0.92 0.00 0.00 64 V 8.40 4.78 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 0.82 0.00 0.00 0.93 0.00 0.00 65 V 8.77 4.66 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 0.71 0.00 0.00 0.93 0.00 0.00 66 R 8.43 4.33 0.00 2.01 1.99 0.00 3.15 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 67 D 8.95 4.41 0.00 2.71 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 68 E 8.13 4.14 0.00 2.12 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 2.27 2.34 0.00 69 D 8.11 4.70 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.37 3.57 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 1.13 0.00 0.00 1.03 0.00 0.00 71 E 8.17 3.94 0.00 2.01 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 2.32 0.00 72 K 7.98 3.91 0.00 1.86 1.94 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.55 7.81 73 V 7.68 3.56 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 0.92 0.00 0.00 0.94 0.00 0.00 74 V 8.06 3.56 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 1.03 0.00 0.00 0.98 0.00 0.00 75 E 8.39 3.93 0.00 2.18 1.98 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 2.32 2.55 0.00 76 T 7.97 3.86 4.35 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 1.24 0.00 0.00 77 I 7.84 3.67 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.84 0.00 0.00 78 V 7.93 3.52 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 1.02 0.00 0.00 0.93 0.00 0.00 79 K 8.10 3.92 0.00 1.91 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.60 7.81 80 T 7.87 4.08 4.20 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 1.23 0.00 0.00 81 A 7.90 4.34 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 82 Q 7.49 4.23 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 83 T 10.08 4.46 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 84 G 8.82 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 0.00 0.00 0.00 85 R 7.08 4.43 0.00 1.81 1.91 0.00 3.36 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 86 V 7.98 3.63 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 0.81 0.00 0.00 0.95 0.00 0.00 87 G 8.93 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 0.00 0.00 0.00 88 D 7.91 4.36 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.59 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 0.00 0.00 0.00 0.00 90 K 8.03 4.65 0.00 1.18 1.38 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.44 7.81 91 I 7.98 4.60 1.78 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 1.22 0.47 0.85 0.00 0.00 92 F 9.29 5.23 0.00 2.90 2.78 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 0.00 0.00 0.00 0.00 93 I 8.56 4.88 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 1.39 0.87 0.93 0.00 0.00 94 I 8.70 4.77 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.92 0.00 0.00 95 P 0.00 4.70 0.00 2.07 2.05 0.00 3.70 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 1.98 1.96 0.00 96 V 8.02 4.40 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 0.84 0.00 0.00 0.97 0.00 0.00 97 E 9.01 4.22 0.00 1.99 1.98 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 2.29 2.29 0.00 98 D 7.23 4.45 0.00 2.55 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 99 V 7.87 4.56 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 1.04 0.00 0.00 0.93 0.00 0.00 100 I 8.29 4.93 1.87 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 1.23 0.66 0.91 0.00 0.00 101 R 9.25 4.23 0.00 1.84 1.81 0.00 3.16 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 102 I 8.59 3.66 1.87 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 1.30 0.65 0.91 0.00 0.00 103 R 8.18 4.04 0.00 1.76 1.96 0.00 3.19 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 104 T 8.03 4.34 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 1.25 0.00 0.00 105 G 8.85 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.94 4.09 0.00 2.07 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 2.29 0.00 107 R 8.03 5.06 0.00 1.81 1.86 0.00 3.27 0.00 0.00 3.51 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 108 G 8.70 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.95 3.96 0.00 2.08 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 0.00 2.41 2.42 0.00 110 Q 7.84 4.07 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 111 A 8.32 4.47 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 0.00 112 I 7.39 3.55 1.87 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 1.15 0.51 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.