NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.4444 8.2993 121.7909 56.6878 33.7999 173.8329 5 T 4.0560 7.8332 120.9497 60.0281 70.3417 173.3322 6 C 4.9455 9.5315 120.3300 57.0692 43.3254 173.9003 7 D 5.0798 9.2028 123.0769 52.7508 42.5932 175.5277 8 L 5.2521 8.5135 123.6142 52.5563 43.9494 176.9975 9 V 3.4601 8.4064 121.1899 63.2578 31.4235 175.1909 10 G 3.7924 8.7535 108.5896 44.1343 0.0000 172.7578 11 E 4.2699 8.5420 117.7029 55.1588 30.2727 176.9261 12 K 4.1542 8.5229 121.0719 58.4610 32.4466 177.8653 13 G 4.0077 8.8911 110.6323 45.7824 0.0000 174.2191 14 K 4.4948 8.2016 117.6800 56.0426 32.7024 176.2169 15 E 4.2825 7.8558 118.6345 55.2966 30.6376 176.8920 16 S 4.0998 8.5960 114.1429 59.4538 63.9300 175.1176 17 E 4.0760 8.7962 128.0617 58.8940 29.3334 179.0590 18 K 4.0668 7.9764 118.4956 59.2139 32.0048 179.0535 19 E 4.0998 8.1011 118.5173 59.0656 29.7246 178.8713 20 L 3.9950 7.8977 118.5026 57.6511 41.5574 179.1843 21 A 3.9871 7.8765 120.3644 55.4489 17.9477 179.6744 22 L 3.9566 7.6467 117.0678 58.0386 41.4510 179.8644 23 L 4.1725 8.0274 118.0590 57.6589 41.6638 179.4228 24 K 4.1422 8.0032 119.9205 58.8013 31.7800 179.3352 25 R 3.9651 7.7098 117.8609 58.3824 30.2105 177.4332 26 L 4.5002 7.3733 116.8297 54.7342 42.0971 178.0258 27 T 2.0000 7.2310 118.0762 65.7409 68.2325 174.1085 28 P 4.3686 0.0000 0.0000 64.9415 31.4186 177.0957 29 L 4.5431 8.0923 118.3870 55.4843 41.9075 178.2313 30 F 4.3254 8.4477 118.8348 60.6253 39.0806 176.3864 31 Q 4.1442 7.9985 111.9386 56.7092 28.8402 175.6264 32 K 4.2052 7.3769 119.0464 55.4868 33.8508 175.4784 33 S 4.1741 7.3793 113.3839 57.0033 65.2518 172.9184 34 F 5.0098 8.7218 125.6286 55.6514 41.7244 174.1578 35 E 5.4900 8.8175 122.6010 54.2416 32.6930 175.1975 36 S 4.7645 9.3758 121.6698 58.7206 63.9928 175.1917 37 T 4.4210 7.9882 114.4163 60.5004 68.3278 174.8955 *43 D 4.7589 7.3579 132.3535 54.1024 42.3970 177.6489 44 M 4.7949 7.8063 135.0000 57.1216 32.0126 173.6118 45 Y 5.1075 7.5776 113.9500 56.0130 41.8297 175.1122 46 S 4.8829 8.7723 115.1123 56.8725 65.8126 172.1559 47 Y 5.3334 9.2922 124.3435 56.2820 41.0274 174.7448 48 V 5.0021 8.8317 123.0544 61.0842 34.6117 173.9156 49 F 5.6062 9.2499 129.9364 56.6774 42.3960 173.9575 50 R 4.4092 8.2795 122.6097 54.4890 34.3827 175.1538 51 V 3.7237 8.0539 122.5645 62.7134 31.0944 176.3069 52 C 3.8545 9.1112 125.1181 57.3563 38.2477 173.1743 53 R 4.0021 6.5146 115.9648 53.6607 33.7639 174.8658 54 E 4.3092 8.6907 121.1720 56.7913 29.8477 176.4890 55 A 4.4162 8.5912 128.6714 52.1123 20.3620 176.5219 56 G 4.0478 8.0564 104.6795 44.5392 0.0000 173.5773 57 Q 4.6158 8.9686 115.7198 55.9697 28.9917 176.1152 58 H 4.8798 7.6853 112.9102 55.3104 30.1787 173.8038 59 S 4.2741 8.3787 112.2101 59.6844 60.3108 173.8630 60 S 4.1585 7.5421 116.4228 59.6669 62.9112 175.1864 61 G 3.4649 9.4167 109.5084 45.8143 0.0000 173.2133 62 A 4.0417 8.1453 122.0078 51.7041 19.4008 179.2462 63 G 3.4153 8.8076 108.8305 47.2936 0.0000 173.7773 64 L 5.4422 7.6255 121.8745 53.6986 45.7821 175.2956 65 V 4.8674 8.9469 118.7886 59.5404 36.0288 174.1974 66 Q 4.5581 9.1579 124.8596 54.4494 31.0892 174.1474 67 I 4.8029 8.8652 128.2605 59.8001 39.8061 175.0796 68 Q 4.4177 9.1213 128.9828 55.2197 28.6855 175.9061 69 K 3.9300 8.4323 127.4164 59.7471 31.9524 178.9962 70 S 4.2379 8.2995 112.7639 60.4496 62.8157 174.3582 71 N 4.8104 7.9180 114.9981 51.3685 37.9346 175.0832 72 G 4.2578 8.6507 106.4175 46.1996 0.0000 173.7634 73 K 4.0888 7.5074 121.8478 56.1475 33.3323 175.2529 74 E 4.8997 8.7679 128.4723 55.1240 31.0379 174.7028 75 T 4.6395 8.8768 124.7112 61.6736 71.2793 173.9529 76 V 3.9281 9.5975 128.4032 62.6467 31.9176 176.7429 77 V 3.4571 8.6526 129.6654 65.6637 32.6967 176.0352 78 G 4.3500 7.7292 104.1617 45.3739 0.0000 172.4073 79 R 4.9209 8.5692 121.9375 53.8442 32.6891 177.3864 80 F 4.2981 7.3274 115.5342 58.1418 38.2073 176.3831 81 N 4.7862 7.4459 117.8472 54.0108 38.1931 174.7841 82 E 4.8272 7.9647 117.8975 55.3850 29.2639 174.7476 83 T 5.2747 8.6034 116.9049 62.5320 71.4116 175.8462 84 Q 4.7820 8.8557 124.3101 54.7931 32.7719 173.4854 85 I 5.2797 9.2077 126.0549 59.8302 41.5977 173.5753 86 F 5.1798 8.4867 122.6853 55.9926 41.6682 172.9335 87 Q 4.2513 8.5452 116.2163 54.2103 32.2112 175.4519 88 G 3.3237 6.3033 108.3981 44.9910 0.0000 174.7337 89 S 4.2059 8.7142 116.7422 61.3055 63.2928 175.9093 90 N 5.4185 8.0907 116.9494 50.3949 38.1134 173.0829 91 W 5.6710 7.4445 113.9606 56.5958 31.8752 173.0593 92 I 4.7522 9.1532 122.1505 59.7041 41.0777 173.8929 93 M 5.0305 8.9271 125.9591 53.5793 34.7305 173.8759 94 L 5.0738 8.6202 127.9649 53.2882 45.3185 174.9710 95 I 5.0807 8.7525 125.9073 59.8340 41.1830 173.6636 96 Y 5.3767 8.8794 124.9210 56.6416 40.0557 175.9701 97 K 4.5598 9.2740 124.9789 54.6672 35.3121 175.9854 98 G 3.8337 8.4165 106.0544 46.7229 0.0000 173.1561 99 G 4.2174 7.8231 106.2964 44.3743 0.0000 173.9009 100 D 4.6686 8.8501 119.8065 54.0142 41.9032 176.5138 101 E 4.6168 8.6232 121.7144 56.6642 30.3604 176.5579 102 Y 4.4019 9.0475 121.0075 58.5016 38.8529 176.2510 103 D 4.7098 9.0489 120.8108 55.5778 42.4233 177.3472 104 N 5.0982 8.1731 113.6248 52.8046 40.0805 173.2160 105 H 4.5986 8.0401 114.0237 54.7877 33.6060 173.5690 106 C 4.9190 8.8988 115.2775 58.5136 37.3288 173.9158 107 G 4.2212 8.6792 100.0193 46.2860 0.0000 172.5381 108 R 4.3298 8.4101 114.0565 55.6372 28.3118 176.1846 109 E 4.5888 8.2682 114.9291 55.2658 32.0070 176.0943 110 Q 4.4172 8.5046 118.7688 55.6968 30.1733 176.5809 111 R 4.1031 8.3578 122.1787 56.8522 31.8136 175.2536 112 R 5.1957 8.6651 118.0415 55.3224 33.9874 173.0350 113 A 5.4531 9.4056 126.7342 50.2069 22.0522 175.1917 114 V 4.7304 9.4494 123.1399 61.1904 34.4070 174.3555 115 V 4.7202 8.7974 129.1112 61.3227 33.9140 173.8481 116 M 4.6100 9.4135 129.4744 54.5029 33.6589 174.7937 117 I 4.8676 8.9737 128.8524 60.0298 38.9530 175.3994 118 S 4.9853 8.6894 123.9797 57.3432 64.7450 173.4779 119 C 4.9199 8.7271 122.9358 57.1654 38.8257 172.9875 120 N 4.4357 8.3497 120.4796 53.2002 40.7823 175.1075 121 R 3.9765 8.8552 126.8431 59.7309 30.3767 178.1559 122 H 4.4945 7.8660 113.2943 57.9011 29.1733 175.2912 123 T 4.7367 7.4608 112.9544 59.9692 70.4138 174.0282 124 L 4.0453 8.8956 127.2388 56.3758 42.5887 176.9991 125 A 4.5477 7.4360 117.7158 51.9349 22.7863 174.7418 126 D 4.4560 8.5239 121.2766 55.1768 44.8483 174.9002 127 N 4.5169 9.0827 115.9368 54.2097 35.2936 174.7144 128 F 4.5746 8.4894 120.4902 58.3504 40.1698 173.7319 129 N 4.8544 8.1879 124.3266 51.0354 43.2495 172.4472 130 P 3.9867 0.0000 0.0000 62.7754 31.8653 175.7535 131 V 4.0857 7.7239 122.3491 63.5262 33.2777 175.4042 132 S 4.4023 6.6627 112.0480 57.8965 65.7924 174.1556 133 E 4.3114 8.3502 120.0904 54.3508 31.9426 174.8788 134 E 4.1267 8.4926 129.7125 54.2834 29.5113 175.5353 135 R 4.4430 8.0803 120.0746 55.4437 29.8981 176.8601 136 G 4.0946 8.4398 106.4983 45.7963 0.0000 174.1472 137 K 4.7086 7.5326 117.5446 53.7878 35.6246 178.0561 138 V 3.6712 8.4153 114.6534 64.2235 31.6370 175.7792 139 Q 4.4733 7.9763 115.0123 56.1779 30.4772 172.3825 140 D 4.4482 8.9917 114.6682 55.7278 38.0606 174.8944 141 C 5.0632 8.9420 116.7330 56.6180 39.6838 173.1302 142 F 4.9649 7.8671 113.1092 57.2686 41.0929 172.3349 143 Y 4.7713 8.8565 117.8548 56.2491 40.5130 174.5108 144 L 5.2943 8.4541 125.4496 53.3645 44.9179 175.1707 145 F 5.0846 9.8529 124.0028 55.7424 43.6983 173.5841 146 E 5.2504 8.5625 119.2436 55.2681 33.7975 174.5636 147 M 5.2067 8.8996 120.4348 54.8079 36.4430 173.2481 148 D 5.4032 8.9739 124.2417 53.5384 43.7994 175.5236 149 S 5.0253 8.3119 112.2438 57.7994 66.0457 177.1446 150 S 4.7291 8.7641 121.0391 60.3745 63.0972 175.8482 151 L 4.1987 7.6023 119.6443 56.1426 41.4855 177.1318 152 A 4.4952 7.9051 121.7178 51.9935 19.1597 175.9132 153 C 4.8707 7.7162 114.3970 56.3143 42.1714 174.2672 154 S 4.1462 8.1965 116.8554 59.1288 63.5080 174.2195 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 4 K 8.30 4.44 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.53 7.81 5 T 7.83 4.06 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 1.23 0.00 0.00 6 C 9.53 4.95 0.00 2.97 3.19 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 7 D 9.20 5.08 0.00 2.70 2.70 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 8 L 8.51 5.25 0.00 1.57 1.77 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.41 3.46 2.12 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 0.72 0.00 0.00 0.95 0.00 0.00 10 G 8.75 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 11 E 8.54 4.27 0.00 2.02 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 2.41 2.28 0.00 12 K 8.52 4.15 0.00 1.74 1.79 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.28 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.55 7.81 13 G 8.89 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 14 K 8.20 4.49 0.00 1.89 1.82 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 15 E 7.86 4.28 0.00 1.97 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 2.51 2.51 0.00 16 S 8.60 4.10 0.00 3.90 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 17 E 8.80 4.08 0.00 2.13 1.93 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 2.38 2.46 0.00 18 K 7.98 4.07 0.00 1.90 1.86 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 19 E 8.10 4.10 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.45 0.00 20 L 7.90 3.99 0.00 1.90 1.74 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.88 3.99 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 22 L 7.65 3.96 0.00 1.91 1.76 0.93 0.54 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 23 L 8.03 4.17 0.00 1.88 1.91 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.00 4.14 0.00 2.02 1.81 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.52 7.81 25 R 7.71 3.97 0.00 1.73 2.06 0.00 3.28 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 26 L 7.37 4.50 0.00 1.94 1.83 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.23 2.00 3.91 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 0.00 0.00 0.63 0.00 0.00 28 P 0.00 4.37 0.00 2.21 2.14 0.00 3.58 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 29 L 8.09 4.54 0.00 2.05 1.98 1.00 1.58 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 30 F 8.45 4.33 0.00 2.88 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 31 Q 8.00 4.14 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 32 K 7.38 4.21 0.00 1.51 1.26 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.31 7.81 33 S 7.38 4.17 0.00 3.60 3.46 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 34 F 8.72 5.01 0.00 2.60 2.79 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 35 E 8.82 5.49 0.00 2.00 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 2.33 2.58 0.00 36 S 9.38 4.76 0.00 4.14 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 37 T 7.99 4.42 4.31 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 1.31 0.00 0.00 *43 D 7.36 4.76 0.00 2.76 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 0.00 0.00 0.00 44 M 7.81 4.79 0.00 1.48 1.81 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.64 0.00 45 Y 7.58 5.11 0.00 2.81 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 46 S 8.77 4.88 0.00 3.94 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 47 Y 9.29 5.33 0.00 3.39 3.15 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 0.00 0.00 0.00 48 V 8.83 5.00 2.12 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 0.94 0.00 0.00 0.99 0.00 0.00 49 F 9.25 5.61 0.00 2.47 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 0.00 0.00 0.00 50 R 8.28 4.41 0.00 1.63 1.49 0.00 3.07 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.42 0.00 51 V 8.05 3.72 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 1.04 0.00 0.00 0.86 0.00 0.00 52 C 9.11 3.85 0.00 1.89 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.51 4.00 0.00 1.51 1.52 0.00 3.14 0.00 0.00 2.79 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.64 0.00 54 E 8.69 4.31 0.00 2.02 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 2.30 2.51 0.00 55 A 8.59 4.42 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.06 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.97 4.62 0.00 1.81 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.30 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 58 H 7.69 4.88 0.00 3.11 3.19 0.00 5.77 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.38 4.27 0.00 3.96 3.90 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 60 S 7.54 4.16 0.00 3.90 3.85 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 0.00 0.00 0.00 0.00 61 G 9.42 3.46 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 0.00 62 A 8.15 4.04 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 63 G 8.81 3.42 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 0.00 64 L 7.63 5.44 0.00 2.03 1.57 0.03 0.95 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 65 V 8.95 4.87 2.06 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 0.70 0.00 0.00 0.95 0.00 0.00 66 Q 9.16 4.56 0.00 1.68 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 1.90 1.28 0.00 67 I 8.87 4.80 1.88 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 1.11 0.50 0.93 0.00 0.00 68 Q 9.12 4.42 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.59 2.39 0.00 69 K 8.43 3.93 0.00 1.70 1.88 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 70 S 8.30 4.24 0.00 3.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.92 4.81 0.00 2.88 3.03 0.00 0.00 6.17 7.67 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 72 G 8.65 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 0.00 0.00 0.00 0.00 73 K 7.51 4.09 0.00 1.69 1.72 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.38 7.81 74 E 8.77 4.90 0.00 2.05 1.85 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 0.00 2.21 2.32 0.00 75 T 8.88 4.64 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 1.11 0.00 0.00 76 V 9.60 3.93 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 0.80 0.00 0.00 0.90 0.00 0.00 77 V 8.65 3.46 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 0.59 0.00 0.00 0.70 0.00 0.00 78 G 7.73 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 0.00 0.00 0.00 0.00 79 R 8.57 4.92 0.00 1.62 1.55 0.00 3.09 0.00 0.00 3.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 80 F 7.33 4.30 0.00 3.19 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 81 N 7.45 4.79 0.00 2.81 2.76 0.00 0.00 5.86 7.66 0.00 0.00 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 E 7.96 4.83 0.00 2.03 1.93 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 2.23 2.24 0.00 83 T 8.60 5.27 4.41 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 1.32 0.00 0.00 84 Q 8.86 4.78 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 85 I 9.21 5.28 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 1.28 1.03 0.99 0.00 0.00 86 F 8.49 5.18 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.55 4.25 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 88 G 6.30 3.32 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 0.00 89 S 8.71 4.21 0.00 3.95 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 90 N 8.09 5.42 0.00 2.75 2.98 0.00 0.00 6.26 8.88 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 91 W 7.44 5.67 0.00 3.45 3.18 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 92 I 9.15 4.75 1.85 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 0.94 0.53 0.88 0.00 0.00 93 M 8.93 5.03 0.00 1.02 1.81 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 94 L 8.62 5.07 0.00 1.67 1.35 0.90 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.75 5.08 1.97 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 1.27 0.60 1.03 0.00 0.00 96 Y 8.88 5.38 0.00 2.98 2.70 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 97 K 9.27 4.56 0.00 1.76 1.81 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.48 7.81 98 G 8.42 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 0.00 0.00 0.00 99 G 7.82 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 0.00 0.00 0.00 0.00 100 D 8.85 4.67 0.00 2.47 2.54 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 0.00 101 E 8.62 4.62 0.00 1.86 1.93 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 2.34 2.35 0.00 102 Y 9.05 4.40 0.00 3.01 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 0.00 103 D 9.05 4.71 0.00 2.74 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 0.00 104 N 8.17 5.10 0.00 2.69 2.71 0.00 0.00 6.67 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 H 8.04 4.60 0.00 2.41 2.63 0.00 5.94 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.90 4.92 0.00 3.13 3.29 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 0.00 107 G 8.68 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 0.00 0.00 0.00 0.00 108 R 8.41 4.33 0.00 1.94 2.09 0.00 3.27 0.00 0.00 3.16 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.56 0.00 109 E 8.27 4.59 0.00 2.14 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 0.00 2.76 2.55 0.00 110 Q 8.50 4.42 0.00 2.06 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 111 R 8.36 4.10 0.00 1.72 1.91 0.00 3.07 0.00 0.00 2.87 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.34 0.00 112 R 8.67 5.20 0.00 2.01 1.97 0.00 3.27 0.00 0.00 3.43 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 113 A 9.41 5.45 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 0.00 114 V 9.45 4.73 2.43 0.00 0.00 0.00 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 0.98 0.00 0.00 115 V 8.80 4.72 1.85 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 0.63 0.00 0.00 0.37 0.00 0.00 116 M 9.41 4.61 0.00 2.09 1.85 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 117 I 8.97 4.87 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.65 0.97 0.00 0.00 118 S 8.69 4.99 0.00 3.82 3.81 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 0.00 119 C 8.73 4.92 0.00 3.21 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 0.00 120 N 8.35 4.44 0.00 2.76 2.62 0.00 0.00 7.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.86 3.98 0.00 1.79 2.00 0.00 3.43 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 122 H 7.87 4.49 0.00 3.23 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.46 4.74 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 124 L 8.90 4.05 0.00 1.67 1.74 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.44 4.55 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 0.00 126 D 8.52 4.46 0.00 2.83 2.54 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 0.00 127 N 9.08 4.52 0.00 3.06 2.99 0.00 0.00 6.86 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.49 4.57 0.00 2.99 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 0.00 129 N 8.19 4.85 0.00 2.52 2.49 0.00 0.00 6.59 7.89 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 0.00 130 P 0.00 3.99 0.00 1.69 1.24 0.00 3.53 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.74 0.00 131 V 7.72 4.09 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 0.66 0.00 0.00 0.77 0.00 0.00 132 S 6.66 4.40 0.00 3.67 3.75 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 0.00 133 E 8.35 4.31 0.00 1.54 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 1.47 1.47 0.00 134 E 8.49 4.13 0.00 1.46 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 2.22 2.15 0.00 135 R 8.08 4.44 0.00 1.42 1.81 0.00 2.63 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.45 0.00 136 G 8.44 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.53 4.71 0.00 1.89 1.72 0.00 1.89 0.00 0.00 1.92 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.55 7.81 138 V 8.42 3.67 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 0.94 0.00 0.00 139 Q 7.98 4.47 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.93 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 140 D 8.99 4.45 0.00 2.90 2.85 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 0.00 0.00 0.00 0.00 141 C 8.94 5.06 0.00 3.17 3.28 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 0.00 142 F 7.87 4.96 0.00 3.16 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 8.86 4.77 0.00 3.34 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 0.00 144 L 8.45 5.29 0.00 1.76 1.28 1.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.85 5.08 0.00 2.75 2.53 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 0.00 146 E 8.56 5.25 0.00 1.81 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 2.15 2.13 0.00 147 M 8.90 5.21 0.00 2.08 2.00 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 2.57 2.45 0.00 148 D 8.97 5.40 0.00 2.78 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.31 5.03 0.00 3.86 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 0.00 150 S 8.76 4.73 0.00 4.07 4.36 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 0.00 151 L 7.60 4.20 0.00 1.63 1.76 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.91 4.50 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 0.00 153 C 7.72 4.87 0.00 3.06 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 0.00 154 S 8.20 4.15 0.00 3.91 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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.