NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5927 8.3231 116.7912 57.9488 66.2991 172.4628 9 G 3.7868 6.9972 114.7761 43.0552 0.0000 171.5528 10 K 4.4161 10.7800 132.0155 56.8145 30.8325 176.7800 11 R 4.0112 8.3493 120.5001 55.9492 27.8237 175.9149 12 P 4.3612 0.0000 0.0000 65.9041 32.0835 176.6794 13 I 3.7705 7.1676 118.5731 59.1525 37.7923 175.0410 14 V 4.6571 7.6557 119.0134 59.6530 32.3633 171.9847 15 A 4.2984 7.8167 125.0911 51.7848 19.5834 176.1455 16 N 5.1546 8.3141 112.2571 51.3772 40.5424 174.0206 17 S 4.6929 7.8733 113.7257 57.0043 66.0729 172.7793 18 I 4.6735 8.1304 120.1261 59.8012 38.6653 175.5885 19 Q 4.7721 8.8843 125.8001 54.0274 32.0581 175.7686 20 R 4.5747 8.5748 121.2410 56.5807 31.1215 176.5545 21 R 4.0474 8.8383 119.1207 58.3492 30.9495 176.5883 22 G 3.6797 8.1099 113.5892 45.7733 0.0000 171.8311 23 K 4.4045 8.2366 124.2891 55.1165 32.3110 175.1226 24 A 4.7613 8.2688 126.3444 51.1179 20.1919 176.3380 25 K 4.7061 9.5896 121.7691 53.5490 36.1054 176.1181 26 R 4.9596 8.1411 122.9456 55.7418 30.0727 172.7727 27 E 3.9822 8.0218 119.7372 56.1508 29.4751 177.1980 28 G 4.5449 7.4150 121.1402 45.6172 0.0000 174.6691 29 G 4.0628 9.0959 108.5938 45.5990 0.0000 174.6041 30 V 4.3242 7.2928 117.5418 58.6434 32.2901 174.8854 31 G 4.1869 7.7750 113.9042 43.9738 0.0000 172.1891 32 K 4.9298 8.4876 126.5347 54.6222 35.4461 174.7439 33 K 4.3624 8.4908 120.8480 59.3736 34.7296 175.4327 34 T 4.2586 7.8925 109.7412 62.2797 70.4312 173.8880 35 T 4.5199 8.3026 118.5313 59.5492 71.5528 173.2021 36 G 4.0396 8.6475 112.8482 45.8511 0.0000 173.1721 37 I 3.9541 9.0644 129.0279 63.0374 38.9869 175.7569 38 S 4.6967 7.5650 111.8190 57.2271 65.2654 176.1572 39 K 4.3815 8.8557 127.9213 56.6349 32.8438 176.8312 40 R 4.6697 8.2648 123.2549 54.8900 33.7563 174.0290 41 R 4.5119 8.6644 125.3869 56.3535 30.9431 175.5957 42 Q 4.7223 9.5912 123.9514 54.4411 33.3230 172.8820 43 Y 5.0808 8.7278 124.3907 55.3407 40.9782 173.2194 44 P 4.7593 0.0000 0.0000 61.0710 32.5154 173.7528 45 N 4.6494 8.4931 123.4821 52.5238 39.3169 175.4726 46 L 4.0895 8.3504 122.8291 55.9151 41.5764 177.4566 47 Q 4.3694 8.1344 122.1317 54.0364 29.1688 175.8732 48 K 3.9119 7.6201 123.6122 55.8260 32.1165 179.2094 49 V 3.9194 9.0533 113.2734 62.8753 31.8056 168.6506 50 R 4.8490 8.2415 124.9006 54.8457 32.0113 175.6299 51 V 4.3099 9.0769 125.2999 61.3724 34.4166 174.6104 52 R 5.0580 8.7471 128.5693 55.0626 30.8796 176.1230 53 V 4.4839 9.3136 124.1645 59.7051 35.3775 174.9818 54 A 5.4916 7.9092 122.3749 49.3600 19.1907 175.8312 55 G 3.8919 8.5631 110.4131 48.0019 0.0000 172.3051 56 Q 4.4907 8.4628 115.3744 56.1805 28.7895 175.5172 57 E 4.9876 9.2771 111.3845 53.7847 30.6652 173.4479 58 I 4.4875 8.9529 122.6445 59.3847 40.6650 174.3756 59 T 4.9616 8.3595 122.8577 61.9452 70.4823 173.5883 60 F 4.4929 9.3539 126.1641 56.0861 41.2056 175.6403 61 R 4.7955 8.6072 124.3584 54.6335 28.4216 175.0220 62 V 4.3495 8.0022 122.0825 58.8964 34.3164 177.4244 63 A 4.2251 8.7951 124.5475 54.4133 16.8715 178.8897 64 A 3.9514 7.4053 120.5036 52.2933 15.1534 176.9076 65 S 5.6807 7.4601 125.6926 59.6255 61.4830 176.3886 66 H 4.9599 7.6108 116.6227 55.2769 29.9237 175.3415 67 I 3.7267 8.2452 122.9642 64.0510 36.8190 175.9343 68 P 4.2826 0.0000 0.0000 66.2750 30.8070 177.7435 69 K 3.7873 7.7458 119.9004 58.7844 31.8212 178.3943 70 V 3.0172 7.6767 118.3829 66.3078 31.4222 177.7222 71 Y 3.8886 7.8070 115.4883 61.0518 37.6189 177.7247 72 E 3.9773 8.4084 119.4197 59.3837 29.6223 178.7174 73 L 4.0825 7.5984 118.2052 57.7630 41.9142 178.9618 74 V 3.7302 7.3666 117.9520 65.9087 31.8262 176.5919 75 E 4.7251 7.9209 117.5072 55.4929 28.3607 178.3080 76 R 4.3904 8.0989 117.5975 54.7578 32.9183 176.8240 77 A 4.4779 8.1882 129.9781 50.9381 17.4686 177.0307 78 K 4.0732 8.2003 116.9021 55.7709 32.6623 178.9643 79 G 3.6397 7.7745 101.9323 47.0490 0.0000 174.5360 80 L 4.3204 7.9915 128.7187 52.9115 44.9328 176.5424 81 K 4.0710 8.5519 124.2277 55.8771 32.3043 176.1039 82 L 4.0498 8.1416 120.6437 56.6208 42.1529 175.8854 83 E 4.6113 8.7733 122.0014 55.5216 34.4061 176.4951 84 G 4.3424 8.6612 111.4592 46.1673 0.0000 174.3407 85 L 3.8076 7.6382 119.3730 52.6376 41.1348 176.6612 86 S 4.5040 8.7803 112.8627 57.6922 62.9399 172.4626 87 P 4.6078 0.0000 0.0000 65.4159 31.9234 176.8411 88 K 4.0471 7.8774 117.2254 59.8014 32.2663 177.6118 89 E 3.8850 8.5435 116.6665 60.0573 29.0842 178.7582 90 I 3.5728 7.7681 118.5741 64.2049 37.3905 177.6157 91 K 4.2765 10.1549 119.7069 58.4449 32.4129 177.8271 92 K 4.5265 8.1975 116.0747 57.8011 36.0888 177.9919 93 E 4.2059 9.3576 116.4307 56.5695 30.4819 177.0327 94 L 4.0008 8.2329 125.8625 55.5760 40.0367 178.5943 95 L 4.1794 8.8051 115.4897 55.1363 45.6231 174.7155 *96 K 4.1215 8.6401 120.2386 55.0738 32.3453 174.3152 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 8 S 8.32 4.59 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.00 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 10 K 10.78 4.42 0.00 2.21 2.30 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.20 7.81 11 R 8.35 4.01 0.00 2.08 1.94 0.00 3.44 0.00 0.00 3.25 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 12 P 0.00 4.36 0.00 2.10 2.13 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 13 I 7.17 3.77 1.58 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 1.30 0.69 0.81 0.00 0.00 14 V 7.66 4.66 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 0.67 0.00 0.00 0.92 0.00 0.00 15 A 7.82 4.30 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 16 N 8.31 5.15 0.00 2.67 2.64 0.00 0.00 5.78 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 17 S 7.87 4.69 0.00 3.88 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 18 I 8.13 4.67 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 1.01 0.00 0.00 19 Q 8.88 4.77 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 20 R 8.57 4.57 0.00 1.70 1.87 0.00 3.37 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 21 R 8.84 4.05 0.00 1.86 1.97 0.00 3.48 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 22 G 8.11 3.68 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 0.00 0.00 0.00 23 K 8.24 4.40 0.00 1.65 1.78 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.53 7.81 24 A 8.27 4.76 1.22 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 0.00 0.00 25 K 9.59 4.71 0.00 1.80 1.58 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.37 7.81 26 R 8.14 4.96 0.00 2.21 2.09 0.00 3.13 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 27 E 8.02 3.98 0.00 2.25 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 2.36 0.00 28 G 7.42 4.54 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 0.00 0.00 0.00 29 G 9.10 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.29 4.32 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 31 G 7.78 4.19 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 0.00 0.00 0.00 32 K 8.49 4.93 0.00 1.97 1.75 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.39 7.81 33 K 8.49 4.36 0.00 1.83 1.93 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.44 7.81 34 T 7.89 4.26 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 1.21 0.00 0.00 35 T 8.30 4.52 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 1.21 0.00 0.00 36 G 8.65 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 37 I 9.06 3.95 2.03 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 1.11 1.13 0.94 0.00 0.00 38 S 7.57 4.70 0.00 3.90 3.68 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 39 K 8.86 4.38 0.00 1.69 1.74 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.44 7.81 40 R 8.26 4.67 0.00 1.81 1.71 0.00 3.35 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 41 R 8.66 4.51 0.00 1.75 1.88 0.00 3.39 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 42 Q 9.59 4.72 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 43 Y 8.73 5.08 0.00 2.85 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 44 P 0.00 4.76 0.00 2.08 2.55 0.00 3.89 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 45 N 8.49 4.65 0.00 2.63 2.76 0.00 0.00 7.18 7.85 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 46 L 8.35 4.09 0.00 1.69 1.63 0.93 0.54 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 47 Q 8.13 4.37 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 48 K 7.62 3.91 0.00 1.87 0.95 0.00 1.87 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.52 1.53 7.81 49 V 9.05 3.92 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 0.88 0.00 0.00 0.97 0.00 0.00 50 R 8.24 4.85 0.00 1.87 1.81 0.00 3.24 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 51 V 9.08 4.31 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 0.94 0.00 0.00 0.97 0.00 0.00 52 R 8.75 5.06 0.00 1.76 1.89 0.00 3.21 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 53 V 9.31 4.48 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 0.95 0.00 0.00 0.76 0.00 0.00 54 A 7.91 5.49 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 55 G 8.56 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 56 Q 8.46 4.49 0.00 2.07 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 57 E 9.28 4.99 0.00 1.93 1.82 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 2.19 2.22 0.00 58 I 8.95 4.49 1.90 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 1.17 1.03 0.60 0.00 0.00 59 T 8.36 4.96 4.18 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 1.21 0.00 0.00 60 F 9.35 4.49 0.00 2.93 2.94 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 61 R 8.61 4.80 0.00 1.82 1.85 0.00 3.21 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 62 V 8.00 4.35 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 0.78 0.00 0.00 0.99 0.00 0.00 63 A 8.80 4.23 1.24 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 64 A 7.41 3.95 1.44 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 0.00 0.00 65 S 7.46 5.68 0.00 3.97 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 0.00 66 H 7.61 4.96 0.00 3.17 3.20 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.25 3.73 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.64 1.08 0.00 0.00 68 P 0.00 4.28 0.00 2.25 2.34 0.00 3.67 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 2.08 2.07 0.00 69 K 7.75 3.79 0.00 1.77 1.91 0.00 1.50 0.00 0.00 1.50 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 70 V 7.68 3.02 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 0.23 0.00 0.00 0.67 0.00 0.00 71 Y 7.81 3.89 0.00 3.21 2.96 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 72 E 8.41 3.98 0.00 1.93 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 2.33 2.37 0.00 73 L 7.60 4.08 0.00 1.83 1.63 0.90 0.93 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 74 V 7.37 3.73 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 1.17 0.00 0.00 0.90 0.00 0.00 75 E 7.92 4.73 0.00 2.04 1.94 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 2.36 2.38 0.00 76 R 8.10 4.39 0.00 1.77 1.83 0.00 3.31 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 77 A 8.19 4.48 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 78 K 8.20 4.07 0.00 1.77 1.85 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.44 7.81 79 G 7.77 3.64 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 0.00 0.00 0.00 80 L 7.99 4.32 0.00 1.60 1.56 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.55 4.07 0.00 1.74 1.81 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 82 L 8.14 4.05 0.00 1.57 1.59 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.77 4.61 0.00 1.87 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 2.10 2.26 0.00 84 G 8.66 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 0.00 0.00 0.00 0.00 85 L 7.64 3.81 0.00 1.62 1.47 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.78 4.50 0.00 4.08 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 87 P 0.00 4.61 0.00 2.06 2.07 0.00 3.81 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 1.91 0.00 88 K 7.88 4.05 0.00 1.74 1.93 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.47 7.81 89 E 8.54 3.89 0.00 2.17 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 2.49 2.38 0.00 90 I 7.77 3.57 2.22 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.24 1.14 0.00 0.00 91 K 10.15 4.28 0.00 1.85 1.95 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.68 1.83 7.81 92 K 8.20 4.53 0.00 2.06 1.76 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.44 7.81 93 E 9.36 4.21 0.00 2.02 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 2.40 0.00 94 L 8.23 4.00 0.00 1.90 1.22 1.00 0.99 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 95 L 8.81 4.18 0.00 1.62 1.53 0.92 0.79 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 *96 K 8.64 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.