NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4439 8.3349 115.4128 57.4519 63.2589 173.1458 2 K 3.7609 8.5262 125.5763 56.5001 32.3889 175.6070 3 T 4.2392 8.4710 116.4263 63.0009 69.4968 174.5387 4 N 4.4923 7.9633 120.5537 52.6983 39.7981 173.5535 5 P 4.2858 0.0000 0.0000 65.6386 31.4522 178.9777 6 R 3.9152 8.4946 117.1898 59.1435 30.0176 178.7602 7 L 3.9357 8.0792 119.6493 58.1866 42.0809 179.0372 8 S 4.1293 7.8977 115.0662 61.5774 62.6686 176.9053 9 S 4.0589 7.8664 117.5772 61.5445 62.6542 176.1181 10 L 3.8415 8.0342 123.2176 58.5352 41.6975 179.2701 11 I 3.6909 7.8056 119.1013 64.3173 37.0397 178.2420 12 A 4.0153 7.9692 121.5952 55.2254 18.1938 179.4612 13 D 4.2263 8.8932 118.4058 57.5832 40.9361 178.8007 14 L 3.9065 8.2602 119.8293 57.8638 41.5375 179.8948 15 K 3.9579 8.1750 118.1900 59.5846 32.0566 179.0264 16 S 4.0610 8.2610 113.1525 61.6977 62.1848 176.4653 17 A 3.9679 8.2068 122.8050 55.2258 18.0101 179.4596 18 A 4.3818 7.8615 119.2501 54.5358 18.4076 179.8345 19 R 4.1440 7.9696 115.8473 59.8633 30.6063 178.6924 20 S 4.2092 8.2703 114.2040 60.9793 63.1872 175.9428 21 S 4.4909 8.1655 116.5892 58.0761 63.7106 175.1870 22 G 4.0596 8.5734 107.4141 45.9630 0.0000 174.1955 23 G 3.7701 8.0783 109.5360 44.6430 0.0000 174.7384 24 A 4.5388 8.1865 123.9990 52.0488 21.5908 178.9943 25 V 3.5671 7.3901 109.3979 64.0720 31.5793 178.3065 26 W 4.8383 7.5731 118.3694 60.1245 29.0746 178.6611 27 G 3.6685 8.1926 104.7648 47.2983 0.0000 175.2749 28 D 4.3217 7.6603 119.3464 57.3991 41.3228 178.5042 29 V 3.6335 8.6790 119.0511 65.7054 31.4983 177.8947 30 A 4.0293 8.3258 120.9248 55.2645 18.0378 179.5157 31 E 3.9805 7.8927 115.5241 59.4024 29.2308 179.2411 32 R 4.0791 7.8502 119.0453 59.1713 29.9194 178.5166 33 L 3.8621 7.8059 118.2429 57.5758 41.6586 178.9430 34 E 4.1499 8.1009 117.9276 58.1950 29.5527 177.8129 35 K 4.2779 6.9343 116.4115 54.9422 33.1444 174.7990 36 P 4.2809 0.0000 0.0000 63.0448 31.9956 177.9996 37 R 3.4951 8.5579 120.2304 59.1041 30.2418 179.4109 38 R 3.9773 7.8835 113.5841 59.0122 29.5294 177.7477 39 T 4.1053 7.6551 107.3815 63.4148 69.2654 174.7275 40 H 4.3641 7.7388 119.2059 55.5980 29.4765 174.6721 41 A 4.2709 8.1791 122.8291 52.2722 19.6926 176.9404 42 E 5.0038 8.5793 119.4425 54.5270 31.2260 173.2573 43 V 4.3295 8.6376 123.2305 61.0267 33.8144 175.0743 44 N 5.4627 8.5286 124.2861 51.4187 40.2268 176.0932 45 L 4.1257 8.5574 119.4953 58.0872 41.5444 179.8697 46 G 3.7351 7.9540 105.3662 47.9774 0.0000 175.4899 47 R 4.0953 7.8365 120.7142 59.0611 30.0546 178.6396 48 I 3.8270 7.5810 119.4031 64.2881 37.0656 177.7558 49 E 3.8939 8.2294 119.2216 58.9922 29.4149 178.4066 50 R 3.9332 7.2606 116.6363 58.2566 30.3603 176.9287 51 Y 4.7732 7.5214 112.6096 56.9692 39.3876 175.7824 52 A 4.5763 7.5904 123.3091 51.1132 20.0273 176.5661 53 Q 4.6947 8.1244 116.8266 53.7659 31.1654 175.3419 54 E 4.0554 8.6015 118.6623 57.7871 30.0516 176.5029 55 D 4.5226 8.7121 118.0894 54.9251 38.4969 173.9222 56 E 4.6195 7.6660 120.6551 54.9670 32.1127 174.7957 57 T 4.1946 8.4585 125.4365 63.9882 69.8521 173.7146 58 V 4.4634 8.9400 127.2495 62.0324 33.1096 174.5818 59 V 4.9151 9.0181 128.8876 61.2099 33.6103 174.2370 60 V 4.7805 9.2164 128.8499 58.9358 33.3815 174.6388 61 P 4.8182 0.0000 0.0000 60.6875 31.6841 174.9260 62 G 4.1672 6.3263 117.9591 46.6666 0.0000 173.4606 63 K 4.9316 8.8197 126.3996 54.2163 35.6296 173.9124 64 V 4.7487 8.4024 126.9827 61.7511 33.2527 174.7559 65 L 5.0019 9.3141 127.6383 52.5089 45.3242 176.4582 66 G 4.2522 8.4844 106.1446 46.8892 0.0000 173.9210 67 S 4.4491 8.1712 117.2007 58.9172 64.3932 175.6234 68 G 4.1106 8.8656 111.0019 44.7934 0.0000 172.1857 69 V 4.3761 7.9799 117.0386 60.6357 33.7404 174.5020 70 L 4.8843 8.4451 127.6557 53.4233 44.1111 175.5600 71 Q 4.5070 9.6348 124.2941 56.7595 31.2083 176.8574 72 K 4.0172 8.2284 116.3350 56.8308 32.5235 177.2153 73 D 5.5062 8.4111 124.1532 52.8769 39.3549 174.8309 74 V 4.5147 7.5965 114.6392 59.4666 35.6851 175.5239 75 T 4.7312 8.4229 120.7175 62.7626 69.9593 173.6935 76 V 4.7725 8.8803 127.8378 61.2921 33.6948 174.1870 77 A 5.9400 9.9621 130.7154 49.6835 21.5634 175.2000 78 A 4.9917 8.3485 122.6058 49.7886 22.8671 176.8699 79 V 3.6083 8.3330 118.9704 66.2033 32.0566 175.6849 80 D 4.6311 7.1813 116.4811 53.4287 44.3595 174.3727 81 F 5.4187 8.8488 121.0944 55.4038 42.8675 175.1145 82 S 4.3926 9.1063 117.2932 57.9034 64.2989 175.5328 83 G 3.7120 8.9452 106.5229 48.6135 0.0000 176.0147 84 T 3.9354 7.9258 117.9756 66.0204 68.4352 176.2158 85 A 3.9966 8.1991 122.7700 55.3917 18.4224 178.9716 86 E 3.6340 8.3633 116.6032 59.7583 29.4639 179.5836 87 T 3.7804 7.6993 115.4244 66.7037 67.3960 176.7617 88 K 4.0246 8.5071 120.6733 59.6372 32.0423 179.4037 89 I 3.6064 8.0272 120.1213 64.5604 36.9458 178.1206 90 D 4.9017 7.7146 119.9241 56.5639 40.7040 178.8967 91 Q 4.1613 7.5949 116.7125 57.9683 29.0520 177.1829 92 V 4.5121 7.4747 108.0625 61.0445 34.7108 174.6740 93 G 3.9740 8.4025 111.4214 44.5429 0.0000 173.8768 94 E 4.9259 9.3496 126.2378 54.5313 33.1526 173.4178 95 A 4.6509 9.0426 130.0504 50.8937 19.7804 176.5352 96 V 4.5719 8.9726 123.1041 60.8287 35.3353 175.2791 97 S 4.8417 8.6215 120.8080 57.7432 63.9598 175.0575 98 L 3.9689 8.4296 123.9353 58.1575 40.1329 179.3310 99 E 3.9053 7.8974 118.3607 58.9435 29.3381 179.1732 100 Q 3.9800 8.1514 118.2357 58.6995 28.9056 177.8630 101 A 4.0217 8.0079 121.3236 55.6912 18.3565 179.6354 102 I 2.8348 6.9747 117.7743 63.8107 36.7056 178.1666 103 E 4.0912 7.1015 118.7751 58.8840 29.7641 177.8732 104 N 4.6225 8.4560 115.9726 55.0140 40.2085 175.1247 105 N 5.1076 8.8776 118.6462 50.9103 38.8936 172.6602 106 P 4.6698 0.0000 0.0000 64.6096 32.1973 178.5190 107 E 4.0848 8.5194 117.9826 56.8112 30.2458 176.2305 108 G 3.6595 8.1471 107.4011 46.4080 0.0000 173.2301 109 S 4.5628 8.2419 111.2621 57.4577 66.2566 174.0892 110 H 4.0058 8.4434 116.8429 56.6882 25.7447 174.7595 111 V 4.6484 7.1251 116.0270 60.0986 34.9199 176.2329 112 R 4.4598 9.0257 126.2526 54.5427 31.7983 174.9999 113 V 4.4572 8.3227 127.0176 62.5868 32.0021 175.0479 114 I 4.7970 8.8817 128.7081 59.4292 40.9691 176.0525 115 R 4.1671 8.3624 121.4451 56.5706 29.2821 174.7246 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 1 S 8.33 4.44 0.00 3.99 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 2 K 8.53 3.76 0.00 1.85 1.81 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.46 1.45 7.81 3 T 8.47 4.24 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 4 N 7.96 4.49 0.00 2.80 2.69 0.00 0.00 7.25 7.71 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 5 P 0.00 4.29 0.00 2.19 2.08 0.00 3.65 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 2.11 2.17 0.00 6 R 8.49 3.92 0.00 1.94 1.97 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 8.08 3.94 0.00 1.76 1.83 0.93 1.07 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 8 S 7.90 4.13 0.00 4.06 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 9 S 7.87 4.06 0.00 3.93 3.88 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 0.00 0.00 0.00 10 L 8.03 3.84 0.00 1.71 1.83 0.90 1.39 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 11 I 7.81 3.69 2.02 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 1.46 0.88 0.92 0.00 0.00 12 A 7.97 4.02 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 D 8.89 4.23 0.00 2.71 2.63 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 14 L 8.26 3.91 0.00 1.87 1.96 0.95 0.79 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 15 K 8.18 3.96 0.00 2.03 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 16 S 8.26 4.06 0.00 3.87 4.02 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 0.00 0.00 0.00 17 A 8.21 3.97 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 18 A 7.86 4.38 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 4.14 0.00 1.82 2.01 0.00 3.19 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 1.66 1.80 0.00 20 S 8.27 4.21 0.00 3.87 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 21 S 8.17 4.49 0.00 4.30 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 22 G 8.57 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 23 G 8.08 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 4.54 1.20 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 0.00 0.00 0.00 25 V 7.39 3.57 1.65 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 0.60 0.00 0.00 -0.39 0.00 0.00 26 W 7.57 4.84 0.00 3.35 3.24 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 27 G 8.19 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.66 4.32 0.00 3.05 2.74 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 0.00 0.00 0.00 29 V 8.68 3.63 2.41 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 1.04 0.00 0.00 1.08 0.00 0.00 30 A 8.33 4.03 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 31 E 7.89 3.98 0.00 2.14 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 2.36 2.55 0.00 32 R 7.85 4.08 0.00 1.86 2.04 0.00 3.30 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 33 L 7.81 3.86 0.00 1.80 1.69 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.10 4.15 0.00 2.14 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 2.36 2.58 0.00 35 K 6.93 4.28 0.00 2.03 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.62 7.81 36 P 0.00 4.28 0.00 2.15 1.98 0.00 3.61 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 2.12 2.13 0.00 37 R 8.56 3.50 0.00 1.79 1.89 0.00 3.10 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 38 R 7.88 3.98 0.00 1.90 2.05 0.00 3.02 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.66 4.11 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 1.22 0.00 0.00 40 H 7.74 4.36 0.00 3.30 3.26 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.18 4.27 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 42 E 8.58 5.00 0.00 1.80 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 2.20 2.29 0.00 43 V 8.64 4.33 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 1.00 0.00 0.00 0.94 0.00 0.00 44 N 8.53 5.46 0.00 2.81 2.94 0.00 0.00 7.62 6.74 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 45 L 8.56 4.13 0.00 1.87 1.74 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.95 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.84 4.10 0.00 1.90 2.09 0.00 3.16 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 48 I 7.58 3.83 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.48 0.97 0.00 0.00 49 E 8.23 3.89 0.00 1.97 1.96 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 2.42 2.32 0.00 50 R 7.26 3.93 0.00 1.72 1.53 0.00 2.21 0.00 0.00 2.77 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.30 0.00 51 Y 7.52 4.77 0.00 3.02 2.88 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 0.00 0.00 0.00 52 A 7.59 4.58 1.31 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 0.00 0.00 0.00 53 Q 8.12 4.69 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 54 E 8.60 4.06 0.00 2.06 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 2.41 2.35 0.00 55 D 8.71 4.52 0.00 2.80 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 56 E 7.67 4.62 0.00 2.14 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 2.24 2.31 0.00 57 T 8.46 4.19 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 1.36 0.00 0.00 58 V 8.94 4.46 2.16 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.02 4.92 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 1.06 0.00 0.00 1.14 0.00 0.00 60 V 9.22 4.78 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 1.04 0.00 0.00 0.93 0.00 0.00 61 P 0.00 4.82 0.00 2.22 2.21 0.00 3.97 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 62 G 6.33 4.17 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 0.00 0.00 0.00 63 K 8.82 4.93 0.00 1.73 1.55 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.34 7.81 64 V 8.40 4.75 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 1.14 0.00 0.00 0.79 0.00 0.00 65 L 9.31 5.00 0.00 1.88 1.54 0.93 0.26 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 66 G 8.48 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 0.00 0.00 0.00 67 S 8.17 4.45 0.00 3.96 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 68 G 8.87 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 69 V 7.98 4.38 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.45 4.88 0.00 1.60 1.51 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.63 4.51 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 72 K 8.23 4.02 0.00 1.75 1.76 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.82 7.81 73 D 8.41 5.51 0.00 2.80 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 74 V 7.60 4.51 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 1.01 0.00 0.00 75 T 8.42 4.73 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 1.27 0.00 0.00 76 V 8.88 4.77 2.32 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 1.11 0.00 0.00 1.02 0.00 0.00 77 A 9.96 5.94 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 78 A 8.35 4.99 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 3.61 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 0.71 0.00 0.00 0.89 0.00 0.00 80 D 7.18 4.63 0.00 2.77 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 0.00 0.00 0.00 0.00 81 F 8.85 5.42 0.00 2.87 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 82 S 9.11 4.39 0.00 3.93 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 83 G 8.95 3.71 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 0.00 0.00 0.00 84 T 7.93 3.94 4.27 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 1.23 0.00 0.00 85 A 8.20 4.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 3.63 0.00 2.01 1.95 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 2.19 2.08 0.00 87 T 7.70 3.78 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 1.20 0.00 0.00 88 K 8.51 4.02 0.00 1.90 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.68 7.81 89 I 8.03 3.61 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 0.89 0.00 0.00 90 D 7.71 4.90 0.00 2.61 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 91 Q 7.59 4.16 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 92 V 7.47 4.51 2.23 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 0.84 0.00 0.00 0.93 0.00 0.00 93 G 8.40 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 0.00 0.00 0.00 94 E 9.35 4.93 0.00 1.99 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 2.17 2.22 0.00 95 A 9.04 4.65 0.57 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 0.00 0.00 96 V 8.97 4.57 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 1.10 0.00 0.00 0.94 0.00 0.00 97 S 8.62 4.84 0.00 4.12 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 98 L 8.43 3.97 0.00 2.04 1.67 1.07 0.90 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 99 E 7.90 3.91 0.00 2.06 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 2.29 2.32 0.00 100 Q 8.15 3.98 0.00 2.27 2.13 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 2.36 2.36 0.00 101 A 8.01 4.02 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 0.00 102 I 6.97 2.83 1.50 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.45 0.53 0.00 0.00 103 E 7.10 4.09 0.00 1.95 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 2.27 2.31 0.00 104 N 8.46 4.62 0.00 2.73 2.90 0.00 0.00 6.75 7.97 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 0.00 105 N 8.88 5.11 0.00 2.83 3.00 0.00 0.00 6.95 8.30 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 0.00 106 P 0.00 4.67 0.00 2.29 2.29 0.00 3.50 0.00 0.00 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 107 E 8.52 4.08 0.00 2.17 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 2.43 2.41 0.00 108 G 8.15 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.24 4.56 0.00 3.96 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 0.00 110 H 8.44 4.01 0.00 3.33 3.34 0.00 5.57 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.13 4.65 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 0.43 0.00 0.00 0.89 0.00 0.00 112 R 9.03 4.46 0.00 2.04 1.84 0.00 3.12 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 113 V 8.32 4.46 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 0.81 0.00 0.00 0.86 0.00 0.00 114 I 8.88 4.80 1.91 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 1.31 1.40 0.98 0.00 0.00 115 R 8.36 4.17 0.00 1.85 1.81 0.00 3.04 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00