NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.4077 8.1927 115.2898 58.2640 62.9016 175.1816 11 E 3.6729 8.7011 115.3844 58.2026 29.4605 177.5368 12 A 4.0101 8.7731 122.0268 55.4104 18.9538 178.4554 13 C 3.9907 8.1885 114.9196 63.1358 28.1774 176.5440 14 R 3.9683 7.5356 117.1613 59.3959 28.9740 178.7062 15 D 4.3915 7.8434 119.5335 56.9897 40.8724 178.5535 16 G 3.7180 8.4566 106.5502 48.2310 0.0000 175.0061 17 L 3.8829 8.1827 121.0582 57.7231 41.8109 179.5004 18 R 4.0567 8.5601 117.3676 59.5231 30.4209 178.4508 19 A 4.1969 8.0006 120.1517 55.2022 18.3626 181.3635 20 V 3.7964 7.7055 115.8885 63.0521 31.5036 177.9487 *22 E 4.2202 8.1630 116.7829 56.2330 31.5290 177.8762 23 C 3.8568 8.2352 116.5055 63.0020 27.8425 176.3858 24 R 3.7754 8.2409 119.3536 59.5548 30.0875 177.8187 25 N 4.4574 8.1283 115.6830 56.5389 38.5156 177.4108 26 V 3.6160 8.7757 120.8271 66.1510 31.5490 178.1770 27 T 3.8934 8.0926 109.3237 64.6749 68.5373 176.3107 28 H 4.2394 7.9012 119.6351 58.7110 28.6281 177.3808 29 L 3.9500 7.7822 121.6568 57.9251 42.0037 178.1816 30 L 3.9104 8.0646 120.6006 58.6592 41.9198 178.9863 31 Q 3.9900 8.3643 119.3274 59.0339 28.9388 178.2073 32 Q 3.9645 8.1369 119.2711 58.9767 28.7275 178.4683 33 E 3.9680 8.4889 119.9154 59.3977 29.4388 179.2213 34 L 3.9830 8.5752 119.3401 58.3169 41.6737 179.6999 35 T 3.8714 7.9191 115.4403 66.6019 68.3375 175.9296 36 E 3.8468 8.2819 120.8014 59.3282 29.6819 178.5128 37 A 3.8040 8.1175 120.8909 55.4416 18.4455 179.3772 38 Q 4.0496 8.3774 118.1189 59.1769 29.1326 178.2270 39 K 3.9783 8.3114 120.8607 59.5557 32.1755 178.4034 40 G 3.6798 8.2469 106.1975 48.3708 0.0000 175.4045 41 F 4.4144 7.8838 120.5345 59.9750 38.9267 177.9983 42 Q 4.0021 8.2849 117.5719 59.2504 28.6603 178.3021 43 D 4.3903 8.6740 120.1457 57.4057 40.7529 179.1016 44 V 3.5588 8.2624 118.9854 66.0994 31.5003 177.3241 45 E 3.9019 8.8404 119.0243 59.4986 29.3645 178.6956 46 A 3.9858 7.9863 120.3066 55.5680 18.5160 179.5925 47 Q 3.9586 8.1278 116.0601 58.9467 28.7344 178.8501 48 A 3.9637 8.4315 121.9095 55.2439 18.3651 179.1646 49 A 3.9736 8.2188 119.0720 55.9427 18.4220 179.6890 50 T 3.7849 7.9148 113.7412 67.0531 68.5086 175.9661 51 C 3.9587 8.2320 120.0808 62.7108 31.3895 174.9877 52 N 4.1573 8.3376 117.7182 57.5117 38.6144 176.1220 53 H 4.3077 8.3966 116.0035 58.9151 28.9819 177.5139 54 T 4.0785 8.5482 118.0715 66.6036 68.0232 176.8988 55 V 3.6555 7.7296 115.6641 64.0540 31.9175 176.2844 *57 A 4.4205 7.9153 121.6085 51.9912 20.3272 180.2846 58 L 4.2488 7.9369 114.5685 55.1740 41.2337 179.2465 *60 A 4.2605 8.2020 123.0602 52.4840 20.5545 180.0260 61 S 4.1033 8.1769 111.8981 61.7676 62.8121 176.3578 62 L 4.0672 8.0126 122.7648 58.6308 41.7931 178.6277 63 D 4.4085 8.1592 117.6604 57.4248 40.7465 178.6344 64 A 3.9460 8.2967 121.3069 55.0854 18.4656 178.8757 65 E 3.8467 8.8557 118.2279 59.6951 29.5893 179.3790 66 K 3.9536 8.5094 118.2568 59.4539 32.0874 179.1792 67 A 3.9718 8.0618 120.9636 55.0571 18.2742 179.4805 68 Q 3.9501 8.5859 118.5750 59.6021 29.1901 177.9922 69 G 3.7975 8.4905 106.7334 48.2704 0.0000 174.7055 70 Q 3.9533 8.5698 122.1513 58.6594 29.0951 179.4321 71 K 3.9474 8.1822 120.2105 59.2839 32.2155 178.7313 72 K 3.9180 8.4661 120.4119 59.5094 32.0800 178.8604 73 V 3.5808 7.9469 118.6323 65.8706 31.3700 177.4477 74 E 3.8721 8.2377 118.9317 59.3993 29.0154 178.1406 75 E 3.9054 8.5404 119.6064 59.6022 29.6057 178.9778 76 L 4.0644 8.3498 119.0271 57.7639 41.8039 179.1714 77 E 4.1014 8.6572 119.0201 59.0758 29.2944 179.5487 78 G 3.6218 8.0602 105.9879 47.9935 0.0000 175.2914 79 E 3.9796 7.7746 120.6757 58.9932 29.4789 179.6294 80 I 3.6759 7.8083 119.7299 64.7747 37.2744 178.7196 81 T 3.8296 7.8781 110.3232 64.6956 68.4205 176.7846 82 T 3.7974 7.8914 118.7601 66.4664 68.4622 176.4911 83 L 3.9470 8.2413 121.0827 58.0494 41.7463 179.0346 84 N 4.2057 8.7062 116.6969 57.0846 38.6029 177.1679 85 H 4.3338 8.1915 117.1302 58.9171 28.8836 178.1125 86 K 4.0682 8.3856 120.6193 58.9922 31.7696 179.3283 87 L 3.9378 8.5574 121.2830 58.3249 42.0678 178.8885 88 Q 4.0172 8.1181 117.9574 59.1130 28.5838 178.8102 89 D 4.3167 8.0646 119.1647 57.2516 40.8496 178.5852 90 A 3.9622 7.9976 121.1214 55.4546 18.4321 179.6674 91 S 4.0118 8.7442 111.4772 61.2545 62.2852 176.3835 92 A 3.9691 8.0943 123.8022 55.0340 18.2436 179.0755 93 E 3.9060 8.3269 117.9980 59.3206 29.5812 179.1759 94 V 3.5232 7.9980 118.2668 66.1789 31.8023 177.5950 95 E 3.9135 7.9357 117.8358 59.5655 29.3249 179.5243 96 R 3.8523 8.4219 118.7163 59.4994 30.2650 178.4371 97 L 3.9867 8.3478 119.0609 57.8984 41.5865 179.6246 98 R 3.9145 8.6282 118.2137 59.5738 30.0203 179.0221 99 R 3.8789 7.8411 117.0437 59.2130 30.0825 178.3455 100 E 3.8920 8.2873 118.7922 59.5933 29.5766 178.5682 101 N 4.2396 8.6705 116.9449 56.8334 39.0284 176.0701 102 Q 3.8784 8.3948 121.1679 59.3741 29.0079 178.4030 103 V 3.5670 7.9034 118.8900 66.3696 31.5162 178.0553 104 L 4.0063 8.0904 118.4985 57.8616 41.5960 179.7709 105 S 4.1440 8.1100 114.2477 61.2784 62.6683 176.6859 106 V 3.5510 7.6367 120.9832 65.9710 31.3973 177.6689 107 R 4.0553 8.0256 116.7472 59.5008 29.9273 178.8994 108 I 3.8455 7.6062 118.2957 64.2657 37.3036 176.5275 109 A 4.2912 7.6852 124.1998 52.3813 18.3941 176.9581 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 10 S 8.19 4.41 0.00 3.87 3.70 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 0.00 0.00 0.00 0.00 11 E 8.70 3.67 0.00 2.20 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 2.37 2.50 0.00 12 A 8.77 4.01 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 13 C 8.19 3.99 0.00 3.22 3.01 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 14 R 7.54 3.97 0.00 1.87 2.19 0.00 2.77 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 15 D 7.84 4.39 0.00 2.89 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 16 G 8.46 3.72 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 0.00 0.00 0.00 17 L 8.18 3.88 0.00 1.85 1.76 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.56 4.06 0.00 1.73 2.01 0.00 3.19 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 19 A 8.00 4.20 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 20 V 7.71 3.80 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 0.92 0.00 0.00 0.97 0.00 0.00 *22 E 8.16 4.22 0.00 2.22 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 0.00 2.30 2.28 0.00 23 C 8.24 3.86 0.00 3.06 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 24 R 8.24 3.78 0.00 1.80 1.93 0.00 3.29 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 25 N 8.13 4.46 0.00 2.88 2.88 0.00 0.00 6.64 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 26 V 8.78 3.62 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 1.11 0.00 0.00 0.93 0.00 0.00 27 T 8.09 3.89 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 1.27 0.00 0.00 28 H 7.90 4.24 0.00 3.40 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.78 3.95 0.00 1.77 1.91 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.06 3.91 0.00 1.92 1.86 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.36 3.99 0.00 2.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 32 Q 8.14 3.96 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 33 E 8.49 3.97 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 2.47 2.50 0.00 34 L 8.58 3.98 0.00 1.81 1.76 0.94 0.96 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 35 T 7.92 3.87 4.44 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 1.22 0.00 0.00 36 E 8.28 3.85 0.00 2.13 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 2.29 2.35 0.00 37 A 8.12 3.80 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 38 Q 8.38 4.05 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 39 K 8.31 3.98 0.00 1.86 2.05 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.56 7.81 40 G 8.25 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 41 F 7.88 4.41 0.00 3.29 3.06 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 42 Q 8.28 4.00 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 43 D 8.67 4.39 0.00 2.62 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 44 V 8.26 3.56 2.37 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 1.18 0.00 0.00 0.93 0.00 0.00 45 E 8.84 3.90 0.00 2.06 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 2.38 0.00 46 A 7.99 3.99 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 47 Q 8.13 3.96 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 48 A 8.43 3.96 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 49 A 8.22 3.97 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 50 T 7.91 3.78 4.37 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 1.22 0.00 0.00 51 C 8.23 3.96 0.00 3.01 3.08 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 52 N 8.34 4.16 0.00 2.99 3.01 0.00 0.00 7.40 7.83 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 53 H 8.40 4.31 0.00 3.32 3.37 0.00 5.92 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.55 4.08 4.40 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 1.22 0.00 0.00 55 V 7.73 3.66 2.28 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 0.80 0.00 0.00 0.93 0.00 0.00 *57 A 7.92 4.42 1.41 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 0.00 0.00 58 L 7.94 4.25 0.00 1.86 1.69 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *60 A 8.20 4.26 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 61 S 8.18 4.10 0.00 4.00 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 0.00 62 L 8.01 4.07 0.00 1.96 1.66 0.92 1.15 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 63 D 8.16 4.41 0.00 2.80 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 64 A 8.30 3.95 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 65 E 8.86 3.85 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 66 K 8.51 3.95 0.00 1.93 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.58 7.81 67 A 8.06 3.97 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 68 Q 8.59 3.95 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 69 G 8.49 3.80 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 0.00 0.00 0.00 70 Q 8.57 3.95 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 71 K 8.18 3.95 0.00 1.92 1.97 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 72 K 8.47 3.92 0.00 1.86 1.92 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 73 V 7.95 3.58 2.17 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 1.02 0.00 0.00 0.93 0.00 0.00 74 E 8.24 3.87 0.00 2.31 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 0.00 2.31 2.32 0.00 75 E 8.54 3.91 0.00 2.29 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 2.31 2.37 0.00 76 L 8.35 4.06 0.00 1.69 1.68 0.92 0.79 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 77 E 8.66 4.10 0.00 2.11 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 2.32 2.33 0.00 78 G 8.06 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 79 E 7.77 3.98 0.00 2.26 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 2.33 2.36 0.00 80 I 7.81 3.68 1.99 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 1.57 0.90 0.89 0.00 0.00 81 T 7.88 3.83 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 1.17 0.00 0.00 82 T 7.89 3.80 4.39 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 1.21 0.00 0.00 83 L 8.24 3.95 0.00 1.93 1.70 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.71 4.21 0.00 2.85 2.90 0.00 0.00 7.13 8.73 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 85 H 8.19 4.33 0.00 3.39 3.32 0.00 5.64 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 86 K 8.39 4.07 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 87 L 8.56 3.94 0.00 1.79 1.87 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.12 4.02 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 89 D 8.06 4.32 0.00 2.90 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 90 A 8.00 3.96 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 91 S 8.74 4.01 0.00 3.89 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 92 A 8.09 3.97 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 93 E 8.33 3.91 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 2.31 2.37 0.00 94 V 8.00 3.52 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 0.98 0.00 0.00 0.93 0.00 0.00 95 E 7.94 3.91 0.00 2.17 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 96 R 8.42 3.85 0.00 1.92 2.09 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 97 L 8.35 3.99 0.00 1.88 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.63 3.91 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 99 R 7.84 3.88 0.00 2.08 1.97 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 100 E 8.29 3.89 0.00 2.04 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 0.00 2.31 2.34 0.00 101 N 8.67 4.24 0.00 2.99 2.84 0.00 0.00 6.89 6.72 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 0.00 102 Q 8.39 3.88 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.44 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 103 V 7.90 3.57 2.24 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 1.04 0.00 0.00 0.93 0.00 0.00 104 L 8.09 4.01 0.00 1.88 1.70 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.11 4.14 0.00 4.06 4.12 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 0.00 0.00 0.00 106 V 7.64 3.55 2.24 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 0.85 0.00 0.00 0.93 0.00 0.00 107 R 8.03 4.06 0.00 2.06 2.00 0.00 3.22 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 108 I 7.61 3.85 2.02 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 1.45 0.64 0.91 0.00 0.00 109 A 7.69 4.29 1.26 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.