NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5323 8.3644 120.3159 53.0202 40.7523 173.7800 4 V 4.1857 8.1234 119.5950 61.6628 32.0805 173.4163 5 A 4.9242 9.5696 130.3097 49.6869 23.1732 174.6048 6 I 4.1762 8.3189 120.6412 61.8211 37.2436 176.4144 7 V 3.8893 9.1813 127.9104 64.5015 32.2453 176.1669 8 K 4.4650 7.4640 119.0521 54.8944 34.9572 173.9822 9 E 5.2739 9.0764 122.1888 53.8471 32.8142 174.8663 10 G 4.1145 7.1814 109.9617 44.8148 0.0000 171.3562 11 W 4.9242 8.4016 119.8874 56.5889 29.7922 176.3503 12 L 4.9110 9.4300 123.8807 53.2141 45.8891 175.5016 13 H 5.2528 9.1108 119.9148 55.1443 29.9409 174.0600 14 K 4.7351 9.3318 126.3537 54.5371 34.1656 175.2482 15 R 3.7266 7.6556 128.2968 55.2404 30.4807 176.4270 16 G 4.0402 8.2564 113.5336 45.6694 0.0000 174.1577 17 K 3.8876 8.3721 121.1159 59.3461 32.3875 178.0739 18 Y 4.6081 7.3921 113.6551 59.9482 38.9727 176.1524 19 I 4.1316 7.5152 120.9863 60.6774 37.8057 176.2504 20 K 4.1641 8.3800 126.4387 57.0304 32.6102 177.1685 21 T 4.4208 7.5796 108.4719 61.1654 70.9601 172.9589 22 W 5.2675 8.7381 121.7197 55.2093 31.3319 175.9073 23 R 4.9777 9.2359 122.7818 53.5155 34.2889 172.8307 24 P 5.0580 0.0000 0.0000 63.2492 32.1844 175.8497 25 R 5.0885 9.8547 122.2141 54.7246 35.0385 173.6432 26 Y 4.1585 8.7475 124.9782 56.5112 39.7036 174.0840 27 F 4.9194 8.4115 126.1174 55.6507 42.0623 175.0179 28 L 5.3237 8.8888 121.7877 52.9944 45.2076 175.0565 29 L 5.3736 9.7041 126.4760 53.5601 44.1498 175.3324 30 K 5.2324 9.0899 125.8327 54.4128 35.1080 176.9920 31 N 4.5318 8.8645 119.4127 54.4200 37.3887 175.4435 32 D 4.5310 7.9691 117.8489 53.5931 40.1559 177.1475 33 G 3.9526 8.2817 109.7986 45.1943 0.0000 173.6297 34 T 4.1703 8.0547 117.6837 63.8639 69.7268 173.0517 35 F 5.7274 9.1134 128.7282 56.5211 42.0994 173.2556 36 I 4.6847 8.7705 120.6575 58.7543 40.3274 174.6965 37 G 2.7901 8.2415 113.0056 43.8691 0.0000 171.4844 38 Y 4.9047 8.3256 121.9487 55.6534 41.2248 177.0514 39 K 4.0178 8.9907 122.7626 58.8083 32.6295 176.5800 40 E 5.0263 7.7939 116.3914 53.4897 32.7373 174.8341 41 R 2.8560 8.4913 123.2215 55.5730 30.1793 174.8242 42 P 4.2146 0.0000 0.0000 62.1011 32.5866 176.0873 *48 R 4.1512 8.3234 116.6973 54.6907 31.7428 172.3207 49 E 3.7928 8.3739 124.7081 55.3013 28.9012 174.2307 50 A 4.3148 8.4619 126.5510 51.1081 19.2279 175.0303 51 P 3.9209 0.0000 0.0000 62.5032 32.1009 176.3235 52 L 4.3797 8.2005 119.3243 55.9343 42.8107 176.8835 53 N 5.0825 7.3940 114.9512 51.6035 43.1792 173.7249 54 N 5.0965 8.9261 119.4970 53.5377 40.7634 173.1349 55 F 5.1167 8.7009 121.0576 55.6721 41.8607 173.4905 56 S 4.9788 8.8248 114.9038 57.8670 63.4740 174.4201 57 V 4.1347 8.7250 119.4299 61.3200 31.8884 176.0775 58 A 4.1894 7.6907 124.2604 53.5476 18.5241 177.4663 59 Q 3.5760 8.7129 119.6098 56.9587 26.3999 174.0915 60 C 5.0333 7.8395 114.4961 55.8243 38.5237 172.7403 61 Q 4.7819 9.2379 122.3244 54.4591 31.2359 174.0688 62 L 5.2170 8.5184 125.7111 53.6721 43.4437 175.7144 63 M 4.9369 9.4133 123.2871 53.4382 35.8190 174.5692 64 K 5.1792 8.7334 121.3392 55.1720 34.7179 175.3260 65 T 4.8119 9.1263 117.9079 60.8716 71.4364 173.7122 66 E 4.8027 8.9706 121.4222 55.9266 30.9671 176.3976 67 R 4.7500 7.5987 116.6536 53.5982 33.5822 173.9244 68 P 4.4301 0.0000 0.0000 64.2939 31.9445 176.3495 69 R 4.4404 7.4916 117.8553 53.2750 32.1767 174.0904 70 P 4.5000 0.0000 0.0000 63.4659 32.3614 175.2107 71 N 4.2759 8.8906 114.5403 54.8541 36.7466 174.1785 72 T 5.1876 7.8638 113.9150 62.3678 70.9353 174.8207 73 F 5.6107 9.2548 120.4666 55.1638 41.5996 173.8199 74 I 5.0161 9.3599 121.6363 59.7234 40.5476 174.4271 75 I 4.9388 8.8723 127.9115 59.9432 39.0275 174.4800 76 R 5.0555 9.3193 128.6261 54.6641 32.6201 173.8695 77 C 5.1604 9.3189 123.7943 55.0366 43.8148 172.7802 78 L 4.7223 8.6333 126.6170 54.0422 42.8246 175.9335 79 Q 4.3267 9.0383 126.5433 54.5338 31.9287 176.5853 80 W 3.6570 7.8288 125.8227 58.3459 27.7707 177.1488 81 T 4.2650 9.1929 118.0319 64.7040 68.9675 175.2405 82 T 4.2382 7.9762 112.3282 61.0280 69.6971 173.3737 83 V 4.8477 8.2154 122.8234 60.1234 33.6602 174.6139 84 I 4.4865 8.9615 126.1795 59.5522 39.4698 174.5059 85 E 5.0980 8.5385 124.7976 54.5476 33.1069 175.2245 86 R 4.1686 8.7407 122.4683 54.5054 33.6065 174.4526 87 T 4.6359 7.5907 120.3904 61.6268 71.0812 173.4996 88 F 5.3691 8.9396 124.4942 55.8050 43.4523 173.3868 89 H 5.4690 9.9096 121.1659 54.6421 32.9630 172.6734 90 V 4.8439 8.0817 116.4529 59.4445 35.0686 175.9178 91 E 4.1123 9.0270 121.3953 58.6344 30.0566 178.0989 92 T 4.7847 7.2932 106.6529 58.4403 73.1415 173.1881 93 P 4.3572 0.0000 0.0000 66.0665 31.2673 178.6683 94 E 4.0044 8.1409 118.2339 59.3453 29.4700 178.8430 95 E 4.2300 8.4172 118.7299 59.1916 29.5002 179.3804 96 R 3.9553 8.0428 118.6651 59.4260 30.2026 178.2179 97 E 4.0794 8.1571 120.5312 58.4359 29.2035 178.1406 98 E 3.7920 8.2790 119.5527 59.2390 29.5745 179.0931 99 W 3.9046 8.0105 118.8549 59.8361 29.0397 178.8294 100 T 3.6281 8.1472 110.1018 64.8891 68.0459 176.6899 101 T 3.7760 7.9496 118.3129 66.2416 68.3768 176.3715 102 A 3.8488 7.4417 122.0829 55.2841 18.4060 179.7756 103 I 3.4915 7.8020 118.4491 64.3880 37.0734 178.4713 104 Q 3.9030 8.3155 120.8132 59.5155 28.9173 178.2987 105 T 3.8471 8.0450 114.1945 64.8989 67.2843 176.4288 106 V 3.4939 7.5986 119.9548 65.9040 31.5945 177.8214 107 A 3.9858 8.0190 120.5321 55.3695 18.1535 179.3818 108 D 4.3771 8.6052 117.9379 57.2614 40.9930 179.1063 109 G 3.6403 8.0791 106.2956 48.0246 0.0000 175.7980 110 L 4.0803 7.9456 121.6005 56.9211 41.5015 179.5905 111 K 3.9167 8.2305 120.0301 59.2930 32.1765 178.6787 112 K 3.8690 8.1576 120.0272 59.5643 31.7466 178.4863 113 Q 3.9051 7.9586 119.3164 59.0847 28.9401 177.7626 114 E 3.9672 8.2107 120.2752 59.4664 29.6695 178.6407 115 E 3.9056 8.5105 118.9506 59.4810 29.2945 179.1822 116 E 4.0452 8.0793 117.3122 58.5938 29.5096 178.4292 117 E 4.3025 7.4942 116.5631 58.4416 30.2267 177.6248 118 M 4.3328 8.0033 117.1368 55.6671 32.8053 176.6167 119 D 3.9923 7.7126 119.7732 54.6515 41.4069 176.3621 120 F 4.3119 8.1033 121.9008 58.1623 39.0766 175.1000 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 3 D 8.36 4.53 0.00 2.80 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 4 V 8.12 4.19 2.09 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 0.80 0.00 0.00 0.94 0.00 0.00 5 A 9.57 4.92 1.21 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 6 I 8.32 4.18 1.89 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 1.28 0.60 1.02 0.00 0.00 7 V 9.18 3.89 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 0.64 0.00 0.00 0.89 0.00 0.00 8 K 7.46 4.47 0.00 1.45 1.20 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.89 7.81 9 E 9.08 5.27 0.00 2.07 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 2.21 2.39 0.00 10 G 7.18 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.40 4.92 0.00 3.34 3.23 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 12 L 9.43 4.91 0.00 1.43 1.44 -0.48 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 13 H 9.11 5.25 0.00 3.48 3.53 0.00 5.59 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.33 4.74 0.00 1.95 1.71 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.40 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.95 0.60 7.81 15 R 7.66 3.73 0.00 0.67 0.82 0.00 2.47 0.00 0.00 2.74 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 16 G 8.26 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 17 K 8.37 3.89 0.00 1.07 0.76 0.00 1.30 0.00 0.00 1.41 0.00 0.00 2.85 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.99 1.17 7.81 18 Y 7.39 4.61 0.00 2.94 2.86 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 19 I 7.52 4.13 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 0.92 0.00 0.00 20 K 8.38 4.16 0.00 1.67 1.67 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.34 7.81 21 T 7.58 4.42 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 1.23 0.00 0.00 22 W 8.74 5.27 0.00 3.13 3.22 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 23 R 9.24 4.98 0.00 1.72 1.85 0.00 3.35 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 24 P 0.00 5.06 0.00 2.07 2.02 0.00 3.81 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 2.05 1.98 0.00 25 R 9.85 5.09 0.00 2.13 1.90 0.00 3.29 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 26 Y 8.75 4.16 0.00 1.44 2.40 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 27 F 8.41 4.92 0.00 2.56 2.36 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 28 L 8.89 5.32 0.00 1.69 1.64 1.16 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.70 5.37 0.00 1.96 1.82 0.68 0.61 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 30 K 9.09 5.23 0.00 1.84 1.69 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.42 7.81 31 N 8.86 4.53 0.00 2.81 2.92 0.00 0.00 6.91 7.36 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 32 D 7.97 4.53 0.00 2.81 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 33 G 8.28 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 34 T 8.05 4.17 4.32 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 1.23 0.00 0.00 35 F 9.11 5.73 0.00 2.63 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 0.00 0.00 0.00 36 I 8.77 4.68 1.54 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 1.28 1.21 0.88 0.00 0.00 37 G 8.24 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 0.00 0.00 0.00 38 Y 8.33 4.90 0.00 2.88 2.81 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 39 K 8.99 4.02 0.00 1.78 1.93 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.53 7.81 40 E 7.79 5.03 0.00 2.00 1.78 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 2.36 2.27 0.00 41 R 8.49 2.86 0.00 1.29 1.59 0.00 2.92 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 42 P 0.00 4.21 0.00 1.77 1.14 0.00 3.23 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.39 0.00 *48 R 8.32 4.15 0.00 1.86 2.08 0.00 3.31 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 49 E 8.37 3.79 0.00 2.14 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 2.21 2.25 0.00 50 A 8.46 4.31 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 51 P 0.00 3.92 0.00 1.86 0.93 0.00 3.72 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 1.81 1.78 0.00 52 L 8.20 4.38 0.00 1.40 1.70 0.94 0.86 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 53 N 7.39 5.08 0.00 2.59 2.96 0.00 0.00 6.60 6.92 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 54 N 8.93 5.10 0.00 2.59 2.71 0.00 0.00 6.83 7.02 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 55 F 8.70 5.12 0.00 3.28 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 56 S 8.82 4.98 0.00 3.91 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 57 V 8.73 4.13 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 0.65 0.00 0.00 0.91 0.00 0.00 58 A 7.69 4.19 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 59 Q 8.71 3.58 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 60 C 7.84 5.03 0.00 3.06 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 61 Q 9.24 4.78 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 62 L 8.52 5.22 0.00 1.59 1.63 0.91 0.97 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 63 M 9.41 4.94 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 64 K 8.73 5.18 0.00 1.67 1.78 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.47 7.81 65 T 9.13 4.81 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 1.34 0.00 0.00 66 E 8.97 4.80 0.00 1.97 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 2.22 2.25 0.00 67 R 7.60 4.75 0.00 1.81 1.79 0.00 3.33 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 68 P 0.00 4.43 0.00 2.20 2.23 0.00 3.93 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 69 R 7.49 4.44 0.00 1.29 1.31 0.00 2.21 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.95 0.00 70 P 0.00 4.50 0.00 2.04 1.99 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 71 N 8.89 4.28 0.00 3.13 2.93 0.00 0.00 7.24 6.33 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 72 T 7.86 5.19 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 73 F 9.25 5.61 0.00 3.24 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 74 I 9.36 5.02 1.93 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 1.20 0.73 0.94 0.00 0.00 75 I 8.87 4.94 2.18 0.00 0.00 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 1.39 1.16 1.14 0.00 0.00 76 R 9.32 5.06 0.00 1.82 1.78 0.00 3.22 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 77 C 9.32 5.16 0.00 2.86 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 78 L 8.63 4.72 0.00 1.64 1.56 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 9.04 4.33 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 5.58 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 80 W 7.83 3.66 0.00 3.47 2.26 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 81 T 9.19 4.27 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 82 T 7.98 4.24 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 1.29 0.00 0.00 83 V 8.22 4.85 2.09 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 0.77 0.00 0.00 0.92 0.00 0.00 84 I 8.96 4.49 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.48 0.74 0.00 0.00 85 E 8.54 5.10 0.00 1.67 1.69 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 2.15 2.25 0.00 86 R 8.74 4.17 0.00 1.60 1.34 0.00 2.75 0.00 0.00 2.70 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 87 T 7.59 4.64 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 1.12 0.00 0.00 88 F 8.94 5.37 0.00 1.51 2.26 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 89 H 9.91 5.47 0.00 2.86 3.01 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.08 4.84 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 0.94 0.00 0.00 1.26 0.00 0.00 91 E 9.03 4.11 0.00 2.00 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 2.33 2.37 0.00 92 T 7.29 4.78 4.47 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 1.28 0.00 0.00 93 P 0.00 4.36 0.00 2.30 2.45 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 94 E 8.14 4.00 0.00 2.10 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 2.40 2.46 0.00 95 E 8.42 4.23 0.00 2.31 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 0.00 2.44 2.39 0.00 96 R 8.04 3.96 0.00 2.06 2.17 0.00 3.39 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 97 E 8.16 4.08 0.00 2.26 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 2.28 2.18 0.00 98 E 8.28 3.79 0.00 2.21 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 1.96 2.20 0.00 99 W 8.01 3.90 0.00 3.17 2.68 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 0.00 100 T 8.15 3.63 4.13 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 0.00 0.00 0.00 0.86 0.00 0.00 101 T 7.95 3.78 4.16 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 1.14 0.00 0.00 102 A 7.44 3.85 1.14 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 0.00 0.00 103 I 7.80 3.49 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.66 0.78 0.00 0.00 104 Q 8.32 3.90 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 105 T 8.04 3.85 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 1.22 0.00 0.00 106 V 7.60 3.49 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 0.96 0.00 0.00 0.93 0.00 0.00 107 A 8.02 3.99 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 0.00 108 D 8.61 4.38 0.00 2.83 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 0.00 109 G 8.08 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 0.00 110 L 7.95 4.08 0.00 1.84 1.71 0.97 0.80 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 0.00 111 K 8.23 3.92 0.00 1.93 1.91 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.42 7.81 112 K 8.16 3.87 0.00 1.90 1.97 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.59 7.81 113 Q 7.96 3.91 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 114 E 8.21 3.97 0.00 2.06 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 0.00 2.27 2.32 0.00 115 E 8.51 3.91 0.00 2.14 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 2.28 2.43 0.00 116 E 8.08 4.05 0.00 2.11 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 2.36 2.48 0.00 117 E 7.49 4.30 0.00 2.11 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 2.29 2.48 0.00 118 M 8.00 4.33 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.75 0.00 119 D 7.71 3.99 0.00 2.68 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 0.00 0.00 0.00 120 F 8.10 4.31 0.00 3.21 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 * Residues marked with a * may have inaccurate shift predictions.