NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3423 8.3349 115.4126 56.8437 64.9367 173.5013 -1 N 4.1038 8.3635 116.9282 53.7829 37.2421 174.8916 0 A 4.4075 7.0130 124.8320 52.0008 18.9160 181.0501 0 T 4.4375 6.9230 114.6320 61.3008 69.6160 177.9501 3 T 4.5992 7.3468 119.2319 62.2369 70.1838 174.0794 4 D 4.5579 8.4565 125.4366 53.2486 42.1791 176.8812 5 K 3.9060 8.5532 128.5294 59.4664 32.3782 178.1292 6 Q 3.8979 8.0451 119.3587 59.7492 28.9892 178.4628 7 T 3.8571 8.1084 115.9629 66.8117 68.5423 176.6915 8 S 4.1508 8.1125 117.0397 61.5029 62.8258 176.8460 9 I 3.6674 8.2256 122.8923 64.5407 36.9182 178.2086 10 N 4.3164 8.2739 117.3589 56.1529 38.0848 177.2696 11 L 3.9261 7.8020 120.6597 57.9620 42.3790 178.5109 12 A 4.1474 7.8929 120.6214 55.3868 18.2857 179.6475 13 L 3.9730 8.0657 117.6445 57.8854 41.4043 179.9497 14 S 4.1958 8.0243 113.7928 61.4946 62.9290 176.4095 15 T 4.1149 7.7028 112.7855 63.3294 68.6831 175.0200 16 I 4.4686 7.4410 112.1134 60.2603 38.5078 175.8868 17 N 4.4407 8.0742 119.1190 55.0194 37.8839 176.0637 18 G 3.7514 8.1397 108.4167 45.4567 0.0000 172.4258 19 K 3.7385 8.4977 124.2756 58.0506 32.6954 175.9854 20 W 4.2316 8.5472 124.5612 57.5704 27.9250 176.7202 21 K 4.0700 7.9115 116.8597 59.4378 31.4519 178.8527 22 L 4.1882 7.8548 117.6725 57.9644 41.9445 179.2806 23 S 4.4314 8.1109 114.5440 61.4751 62.8486 177.0750 24 L 3.9568 8.3060 118.5313 55.8782 41.2206 178.6877 *26 D 4.8581 8.0426 121.2163 54.6427 42.7366 177.8915 27 E 4.1888 8.2294 117.4715 59.0657 29.4686 178.7707 28 L 4.2705 8.1379 118.2307 56.0934 41.6135 178.6062 29 F 3.9774 7.5272 119.4087 61.6988 39.3590 177.0589 30 Q 4.1246 8.2894 115.1827 59.0030 29.0482 177.1936 31 G 3.7262 7.3510 107.1145 44.9655 0.0000 172.1544 32 T 4.2740 8.2079 118.2094 62.5806 68.1961 174.9374 33 K 4.9103 9.2256 127.2857 54.7178 36.4738 175.7471 34 R 4.6027 9.2085 124.6424 55.0885 31.6301 176.5810 35 N 4.3355 9.2313 121.7524 56.8599 39.1223 176.4381 36 G 3.7573 8.1890 105.4604 48.6765 0.0000 174.3300 37 E 4.1119 8.4068 119.7092 59.3651 29.6283 180.5896 38 L 4.2411 7.7221 116.2544 55.2065 40.7871 179.3045 *40 R 4.2253 8.0336 119.3938 56.0386 31.8862 176.8162 41 A 4.1642 7.7241 119.1249 53.3012 19.0901 177.0811 42 L 4.6009 7.3894 116.1868 52.3432 41.7318 174.6018 43 D 4.4841 8.5433 122.8432 55.8855 41.3907 176.7809 44 G 4.0737 8.9709 115.3418 45.0781 0.0000 172.9795 45 I 3.2997 6.7197 120.2089 60.5023 38.5052 175.9880 46 T 4.3487 7.9022 117.7549 60.5183 71.6213 175.5363 47 Q 3.8235 8.4262 122.6945 59.3492 29.0411 178.4711 48 R 3.8404 7.9672 119.0885 59.9189 29.9858 178.6341 49 V 3.7694 7.4094 110.4017 63.4456 31.6162 178.3427 50 L 3.7280 7.8312 120.6397 58.5215 41.9108 179.2499 51 T 3.8273 8.0041 115.6971 66.3823 68.3507 176.2233 52 D 4.3166 8.1356 119.9945 57.4221 41.0451 178.4922 53 R 3.8972 7.9256 117.1674 59.3956 30.2285 178.4495 54 L 4.0031 7.5117 117.2837 58.1226 41.8497 179.7566 55 R 4.1646 8.0816 117.5914 59.1592 30.0063 179.7924 56 E 4.2611 8.0139 115.5179 56.8665 29.2489 178.5366 *58 E 4.5865 8.0265 121.0844 56.3720 31.3864 177.9785 59 K 4.0047 8.1550 116.8142 59.6330 32.1048 177.6492 60 D 4.5420 8.2511 115.8309 54.1265 40.6088 176.6718 61 G 3.9851 7.9138 106.8627 46.5593 0.0000 174.9095 62 L 4.4043 7.8106 121.4760 55.3835 43.3434 176.7232 63 V 4.9037 7.7162 118.0657 61.1605 35.0198 173.6305 64 H 4.8944 9.5602 127.6840 54.6481 31.8205 173.2600 65 R 4.4278 8.3469 126.1696 54.7237 31.3879 174.4079 66 E 4.3557 8.6960 128.7406 54.3635 31.8035 174.2979 67 S 4.9155 8.3673 122.1048 57.0871 63.8620 172.8049 68 F 4.5758 9.2983 126.9138 55.6067 40.6177 175.6964 69 N 4.5491 8.7652 122.4535 53.6293 39.0168 175.0208 70 E 4.3337 7.9370 115.8696 54.9565 31.8971 175.5228 71 L 4.4710 8.2601 120.0282 52.9835 41.7290 174.4093 72 P 4.7156 0.0000 0.0000 60.5236 32.9235 174.1908 73 P 4.8090 0.0000 0.0000 63.0502 31.9368 176.3648 74 R 4.7391 8.9446 118.7745 54.6019 33.1809 173.8426 75 V 4.8541 8.4310 120.9099 61.4497 33.4900 174.5813 76 E 4.8962 9.1438 126.3467 54.7641 33.4674 174.1810 77 Y 5.3060 9.1937 121.4253 56.6136 40.8177 174.9986 78 T 5.0893 8.7053 112.5963 59.8685 73.1481 172.8160 79 L 4.6447 8.2269 122.1213 54.5749 42.5403 177.3436 80 T 4.2791 8.4788 113.5369 60.4653 70.4241 173.7240 81 P 4.4129 0.0000 0.0000 65.9833 31.0701 178.8330 82 E 4.1394 8.2797 116.9887 59.2351 29.4045 179.2788 83 G 3.6288 8.2842 105.8635 48.2386 0.0000 175.3232 84 Y 4.2942 8.3136 119.5758 60.6019 37.9550 178.6220 85 A 4.1121 8.2539 121.8632 55.1169 18.4426 179.4884 86 L 3.9648 8.3164 119.1237 58.3656 42.1040 178.3559 87 Y 4.0292 8.4384 119.7687 60.9132 38.8165 177.9589 88 D 4.4799 8.7360 119.5425 57.4666 40.9897 178.7309 89 A 4.0321 7.9872 120.8242 55.2121 18.4232 179.7416 90 L 3.9466 8.2496 117.8345 57.8997 41.5232 179.8755 91 S 4.0447 8.1079 115.4714 61.5618 62.5352 176.9595 92 S 4.1636 7.9735 117.4543 61.3094 62.5819 176.3748 93 L 3.9432 7.7238 122.5836 58.3597 41.9028 178.3372 94 C 4.0009 8.5107 118.9317 63.0038 31.4340 175.0231 95 H 4.1565 8.5856 119.8691 59.0107 29.3821 177.0156 96 W 3.9225 8.2432 130.2753 60.4618 30.5574 178.2586 97 G 3.8464 8.4200 105.7515 47.6383 0.0000 175.2752 98 E 3.9306 8.3834 121.5236 59.6072 29.7144 178.9926 99 T 3.7670 7.8632 115.7004 66.4695 68.4428 176.4015 100 F 3.8384 7.8379 122.1480 61.2305 39.4576 177.0190 101 A 3.8564 8.3073 120.6720 55.1624 18.2036 179.6929 102 Q 3.8251 8.1027 116.4544 58.8911 28.6065 178.5950 103 K 3.7274 7.6799 119.2917 59.5593 32.4611 178.2338 104 K 3.8351 7.7803 119.3733 59.4040 31.7907 178.6073 105 A 4.0535 7.7244 120.2106 55.1374 18.3335 179.5887 106 R 3.9840 7.6799 115.6282 58.9319 30.1624 176.8867 107 L 4.1386 7.2864 121.2479 54.9295 41.6293 176.6084 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 S 8.33 4.34 0.00 4.00 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 -1 N 8.36 4.10 0.00 2.97 2.93 0.00 0.00 6.94 6.46 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 A 7.01 4.41 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0 T 6.92 4.44 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 3 T 7.35 4.60 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 1.20 0.00 0.00 4 D 8.46 4.56 0.00 2.77 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 5 K 8.55 3.91 0.00 1.84 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.47 7.81 6 Q 8.05 3.90 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 7 T 8.11 3.86 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 8 S 8.11 4.15 0.00 3.97 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 9 I 8.23 3.67 1.84 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 1.49 0.80 0.87 0.00 0.00 10 N 8.27 4.32 0.00 2.72 2.85 0.00 0.00 6.72 6.26 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 11 L 7.80 3.93 0.00 1.87 1.80 0.92 0.94 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 12 A 7.89 4.15 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 13 L 8.07 3.97 0.00 1.83 1.72 0.89 0.59 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 14 S 8.02 4.20 0.00 4.03 4.15 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 15 T 7.70 4.11 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 1.26 0.00 0.00 16 I 7.44 4.47 1.89 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 1.48 0.62 0.94 0.00 0.00 17 N 8.07 4.44 0.00 2.79 3.20 0.00 0.00 6.82 8.35 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 18 G 8.14 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 0.00 0.00 0.00 19 K 8.50 3.74 0.00 1.58 1.74 0.00 0.91 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.23 0.81 7.81 20 W 8.55 4.23 0.00 3.63 3.38 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 21 K 7.91 4.07 0.00 2.06 1.92 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.66 7.81 22 L 7.85 4.19 0.00 1.62 1.75 0.90 0.85 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 23 S 8.11 4.43 0.00 4.26 4.10 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 24 L 8.31 3.96 0.00 1.82 1.70 0.86 1.12 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 *26 D 8.04 4.86 0.00 3.08 2.87 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 27 E 8.23 4.19 0.00 2.15 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 0.00 2.60 2.53 0.00 28 L 8.14 4.27 0.00 1.68 1.67 0.93 0.80 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 29 F 7.53 3.98 0.00 2.70 3.14 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 0.00 0.00 0.00 30 Q 8.29 4.12 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 31 G 7.35 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 32 T 8.21 4.27 4.29 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 1.25 0.00 0.00 33 K 9.23 4.91 0.00 1.75 1.70 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.64 7.81 34 R 9.21 4.60 0.00 2.03 1.80 0.00 3.31 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 35 N 9.23 4.34 0.00 2.90 2.92 0.00 0.00 6.98 7.98 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 36 G 8.19 3.76 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 0.00 0.00 0.00 37 E 8.41 4.11 0.00 2.19 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 2.41 2.36 0.00 38 L 7.72 4.24 0.00 1.84 1.59 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *40 R 8.03 4.23 0.00 1.96 2.03 0.00 3.19 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 41 A 7.72 4.16 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 42 L 7.39 4.60 0.00 1.37 1.48 0.86 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.54 4.48 0.00 2.68 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 44 G 8.97 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 6.72 3.30 0.56 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 0.51 0.00 0.00 46 T 7.90 4.35 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 1.19 0.00 0.00 47 Q 8.43 3.82 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 48 R 7.97 3.84 0.00 1.89 1.90 0.00 3.22 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 49 V 7.41 3.77 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 0.74 0.00 0.00 0.88 0.00 0.00 50 L 7.83 3.73 0.00 1.50 1.73 0.71 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.00 3.83 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 1.22 0.00 0.00 52 D 8.14 4.32 0.00 2.80 2.80 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 53 R 7.93 3.90 0.00 1.91 1.99 0.00 3.65 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 54 L 7.51 4.00 0.00 1.47 1.47 0.07 0.60 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 55 R 8.08 4.16 0.00 1.99 1.99 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 56 E 8.01 4.26 0.00 2.19 1.97 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 2.34 2.52 0.00 *58 E 8.03 4.59 0.00 2.16 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 0.00 2.30 2.49 0.00 59 K 8.15 4.00 0.00 1.80 1.87 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.84 1.51 7.81 60 D 8.25 4.54 0.00 2.77 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 61 G 7.91 3.99 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 0.00 0.00 0.00 62 L 7.81 4.40 0.00 1.63 1.72 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.72 4.90 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 1.17 0.00 0.00 0.93 0.00 0.00 64 H 9.56 4.89 0.00 3.26 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.35 4.43 0.00 1.89 1.73 0.00 3.47 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.19 0.00 66 E 8.70 4.36 0.00 2.02 1.68 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 1.47 1.47 0.00 67 S 8.37 4.92 0.00 3.82 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 68 F 9.30 4.58 0.00 3.11 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 69 N 8.77 4.55 0.00 2.67 2.80 0.00 0.00 7.22 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 70 E 7.94 4.33 0.00 2.13 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 2.34 2.51 0.00 71 L 8.26 4.47 0.00 1.61 1.66 0.93 0.97 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 72 P 0.00 4.72 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 73 P 0.00 4.81 0.00 1.97 2.05 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 74 R 8.94 4.74 0.00 1.82 1.95 0.00 2.62 0.00 0.00 2.93 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 75 V 8.43 4.85 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 0.34 0.00 0.00 0.88 0.00 0.00 76 E 9.14 4.90 0.00 2.24 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 2.20 2.25 0.00 77 Y 9.19 5.31 0.00 2.96 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 78 T 8.71 5.09 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 1.28 0.00 0.00 79 L 8.23 4.64 0.00 0.39 0.95 0.45 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.48 4.28 4.38 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 1.27 0.00 0.00 81 P 0.00 4.41 0.00 2.23 2.22 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 82 E 8.28 4.14 0.00 2.25 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 2.43 2.47 0.00 83 G 8.28 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.31 4.29 0.00 3.29 3.04 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 85 A 8.25 4.11 1.47 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 0.00 0.00 86 L 8.32 3.96 0.00 1.82 1.88 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.44 4.03 0.00 3.28 3.30 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 88 D 8.74 4.48 0.00 3.05 2.82 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 0.00 0.00 0.00 89 A 7.99 4.03 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 90 L 8.25 3.95 0.00 1.52 1.62 0.91 1.00 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 91 S 8.11 4.04 0.00 3.92 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 92 S 7.97 4.16 0.00 4.07 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 93 L 7.72 3.94 0.00 1.92 1.78 0.88 1.04 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 94 C 8.51 4.00 0.00 2.99 3.12 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 95 H 8.59 4.16 0.00 3.40 3.48 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 W 8.24 3.92 0.00 3.60 3.37 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 97 G 8.42 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 0.00 0.00 0.00 98 E 8.38 3.93 0.00 2.17 2.20 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 2.28 2.34 0.00 99 T 7.86 3.77 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 1.00 0.00 0.00 100 F 7.84 3.84 0.00 2.43 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 0.00 101 A 8.31 3.86 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 0.00 102 Q 8.10 3.83 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.70 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 103 K 7.68 3.73 0.00 1.69 1.85 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.36 7.81 104 K 7.78 3.84 0.00 1.42 1.72 0.00 1.42 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.30 7.81 105 A 7.72 4.05 1.33 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 0.00 0.00 0.00 106 R 7.68 3.98 0.00 1.77 1.96 0.00 3.30 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 107 L 7.29 4.14 0.00 1.76 1.53 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.