NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4825 8.3349 115.4221 57.6657 65.1000 173.4998 4 D 4.6007 7.8831 121.4089 54.0386 42.2037 174.1307 5 F 5.5070 8.9163 121.7188 56.9644 43.2994 172.2826 6 Y 4.7422 8.5525 126.5331 55.6625 42.4058 173.6886 7 L 4.8781 7.6371 126.9613 53.4495 46.1895 174.7248 8 R 4.9705 9.1137 125.9206 54.9895 33.9393 172.8333 9 Y 5.2935 8.5305 126.7179 55.9658 42.3089 173.4120 10 Y 4.8894 8.0571 126.2746 55.7890 42.9961 174.0800 11 V 4.4636 7.3766 124.4297 59.5922 35.3648 174.4104 12 G 4.1665 8.1419 110.4240 47.1959 0.0000 170.5320 13 H 5.5023 8.8277 114.9670 54.6786 32.6255 172.6459 14 K 5.1858 8.4638 117.7393 54.7964 35.0196 176.2162 15 G 3.9534 8.7136 113.0161 45.1071 0.0000 173.7501 16 K 3.5963 8.7266 120.4745 58.9790 32.3471 178.2218 17 F 5.0686 7.8930 116.2261 57.0612 40.2436 176.2908 18 G 4.0423 8.2187 109.1074 45.4904 0.0000 174.0206 19 H 5.2838 8.5904 119.2535 55.1869 28.8826 173.7676 20 E 4.6876 8.9403 125.7403 55.1251 30.6840 175.4505 21 F 5.1244 8.2943 118.7727 55.5151 42.1896 172.7709 22 L 5.0986 9.0643 121.7357 53.3158 45.0391 174.8011 23 E 5.2225 9.3986 126.5867 54.9289 33.6905 173.6072 24 F 5.6208 8.4994 120.1138 55.7481 42.2251 172.8571 25 E 5.1681 9.5702 120.4753 54.8594 33.7325 173.6983 26 F 5.2165 9.4788 125.5830 55.9872 41.3695 175.1280 27 R 4.9262 9.1854 123.6036 54.2005 31.7526 175.9387 28 P 4.5569 0.0000 0.0000 65.2600 31.4108 177.2630 29 D 4.6348 8.2226 114.0809 53.7385 39.5466 176.9054 30 G 4.0907 8.8892 109.0786 45.4067 0.0000 172.7876 31 K 4.1667 8.1347 121.9177 55.5088 33.7634 175.0240 32 L 4.8585 9.2003 130.3816 53.3609 44.2665 174.9127 33 R 5.1544 8.9737 125.9696 54.5378 33.0553 174.4675 34 Y 5.4456 9.3778 124.1191 55.8721 42.4763 173.9589 35 A 4.8525 8.9945 126.8812 50.2238 23.2767 174.4366 36 N 4.8326 9.0198 120.4598 51.7167 42.0992 172.4803 37 N 4.9285 7.7452 125.4371 51.7514 41.9605 173.0938 38 S 4.7219 7.8998 115.6121 57.7068 65.3682 175.1527 39 N 5.3663 8.3670 122.0378 52.1769 39.2511 173.6815 40 Y 3.8980 7.9935 120.9839 59.0605 38.8729 176.5619 41 K 3.7171 8.9211 126.4090 57.5074 29.7984 174.7026 42 N 4.2347 8.4531 111.5110 54.3096 36.3660 174.4810 43 D 4.5787 7.7913 118.3538 54.2755 42.0505 174.4641 44 V 4.7121 7.6643 113.4391 58.9047 35.4168 175.4635 45 M 4.2897 8.5586 121.5039 55.9837 33.0593 175.2619 46 I 4.5763 8.5841 125.6767 59.5462 40.4780 174.6633 47 R 5.1699 8.5831 125.1291 54.3934 33.5273 175.0730 48 K 4.5998 9.3105 121.9308 54.9655 36.7628 175.0423 49 E 5.2591 8.6853 119.5538 55.8209 32.6149 173.4651 50 A 4.4916 8.6162 121.0614 51.8541 23.6160 174.5394 51 Y 4.9463 8.6059 116.9192 56.6948 39.3490 176.2451 52 V 4.3530 9.0313 118.6332 59.9098 33.5689 175.9854 53 H 4.3203 8.8881 123.5288 55.8426 30.6275 176.1374 54 K 3.9982 8.3783 123.5785 60.2382 32.0524 179.1943 55 S 4.1278 8.5058 114.8665 61.2804 62.6645 176.6367 56 V 3.5314 7.8039 121.3369 66.0877 31.2439 177.8113 57 M 3.9099 8.0769 117.8932 58.3756 31.8116 178.4002 58 E 3.7600 8.3253 118.9123 59.4739 29.6380 178.9753 59 E 3.9130 8.2254 119.3271 59.0988 29.5793 178.6188 60 L 3.7506 7.8004 120.4152 58.0677 42.1514 179.1898 61 K 3.6247 7.7134 118.6856 59.1188 31.7895 179.2205 62 R 3.8017 8.2971 119.3381 59.6420 29.7592 178.6495 63 I 3.6717 7.7542 118.5288 64.2911 37.1910 178.3323 64 I 3.9019 7.6819 120.6540 64.3976 37.0096 178.0148 65 D 4.4095 8.5633 119.9835 57.8028 40.5244 178.7455 66 D 4.4398 8.1833 118.1561 57.3653 40.8264 178.7721 67 S 4.2979 7.7364 113.8613 58.8070 63.5111 174.3493 68 E 3.8742 8.2594 120.6789 57.0467 27.5042 176.2757 69 I 3.8134 7.6358 121.9529 64.2430 38.1158 177.9435 70 T 4.0805 8.1439 109.2250 64.0044 68.5092 174.6252 71 K 4.4479 8.2147 120.4268 56.0004 32.1832 175.3336 72 E 4.8314 8.4234 121.2745 54.6805 32.0395 173.9628 73 D 4.5704 8.1208 119.2639 52.7325 44.2073 174.6253 74 D 3.3700 8.0026 123.5166 53.5601 40.2583 178.1105 75 A 3.7807 7.1808 123.9204 55.3623 18.2347 178.4761 76 L 4.5384 7.5972 111.3657 54.5879 42.2288 176.8569 77 W 4.7362 8.4437 119.8895 55.5310 30.2778 174.6370 78 P 4.5235 0.0000 0.0000 62.4454 31.7454 174.2852 79 P 4.8939 0.0000 0.0000 61.4022 32.4928 174.4181 80 P 4.4252 0.0000 0.0000 63.4219 31.8632 175.5255 81 D 5.1551 8.0711 120.5275 52.3192 41.5698 175.4397 82 R 4.0828 8.7353 115.9828 59.7567 30.4487 177.8762 83 V 3.6388 8.1945 116.6371 64.0862 31.7453 175.5087 84 G 4.1952 7.1363 104.9913 46.6150 0.0000 171.1922 85 R 5.3064 8.4801 118.8704 54.9861 34.2049 173.8517 86 Q 5.3631 9.5783 123.3156 54.3807 33.1302 174.3293 87 E 5.4069 9.4152 121.3404 54.8625 34.5009 174.1131 88 L 5.4215 9.5638 125.8295 53.4333 45.5538 174.5154 89 E 5.2865 9.7703 127.8037 54.5894 32.5892 174.3949 90 I 4.9471 9.0331 127.6964 59.6254 41.2461 174.9120 91 V 4.9453 9.3692 127.6749 60.7061 32.8931 172.6889 92 I 4.9002 8.5657 119.6937 58.5267 39.8455 175.5002 93 G 3.7885 8.2964 114.3024 47.0922 0.0000 175.4109 94 D 4.6384 8.7699 122.7584 53.7692 40.4984 176.4623 95 E 4.2293 8.0770 121.4269 56.1936 30.1640 174.7809 96 H 5.3835 8.7794 122.8702 54.3854 32.2682 172.3545 97 I 4.7354 8.7676 118.7327 59.3036 41.2507 174.5278 98 S 5.1529 8.0260 118.1713 57.0093 66.9282 173.3377 99 F 5.5544 9.6099 122.2654 54.9841 42.3358 174.1629 100 T 5.1944 8.6182 119.1909 62.3164 71.8849 172.9445 101 T 4.7617 8.5652 119.0720 61.4571 71.8774 172.1900 102 S 4.9174 8.3772 118.9121 57.2605 64.8314 174.0895 103 K 4.3923 8.6367 118.6158 56.6036 32.8365 177.2728 104 I 4.3299 8.2914 123.5185 59.4908 38.1823 176.0825 105 G 3.7123 9.1715 116.4947 47.6894 0.0000 173.2299 106 S 4.6428 7.4164 111.8970 55.6460 65.9031 174.3964 107 L 3.4813 8.4912 119.1128 58.1560 41.0162 179.4086 108 I 3.5995 7.6507 117.8509 64.2222 37.3374 177.5182 109 D 4.2850 8.0064 119.7622 57.1065 40.4691 178.9375 110 V 3.3651 7.2126 118.2140 66.1404 31.4313 177.8206 111 N 4.3336 8.1100 115.0538 56.1842 38.3942 177.2385 112 Q 4.1510 7.9800 119.1999 58.0366 29.0262 177.1523 113 S 4.4293 7.3061 113.8919 56.8200 66.0243 173.3856 114 K 4.1960 8.0196 120.7578 56.8996 33.4236 176.4612 115 D 4.4539 8.7393 119.5688 54.8610 39.4326 173.3677 116 P 4.5220 0.0000 0.0000 65.1812 31.9330 178.8645 117 E 4.2245 8.2677 115.6177 57.8335 29.8808 178.1066 118 G 4.5402 8.3224 107.4785 45.4806 0.0000 175.6909 119 L 3.0579 7.5532 121.6028 56.6096 42.0835 178.8803 120 R 3.7432 7.9105 119.1666 59.5275 30.1288 178.4442 121 V 3.7296 7.8415 117.5975 65.9407 31.4696 177.3713 122 F 4.0457 7.9563 120.4310 61.4597 39.2649 176.0420 123 Y 4.0141 8.1081 119.2983 61.3386 38.3594 178.1991 124 Y 4.1208 7.6419 116.6282 60.6878 37.9336 177.7505 125 L 3.8593 7.9750 121.3911 58.0990 42.0535 179.2717 126 V 3.0577 7.5006 118.3070 65.8292 31.3617 178.0434 127 Q 3.7510 7.3066 117.8576 58.9649 28.5122 178.5810 128 D 4.2717 8.2317 120.1737 57.1909 40.7481 178.8540 129 L 3.8817 8.0108 119.7854 57.6895 41.6471 179.6625 130 K 3.2283 7.9540 118.6933 59.1865 31.8675 178.8184 131 C 3.9164 7.7415 118.8438 62.3652 31.4596 175.5206 132 L 3.8609 7.7462 121.7212 58.1249 41.6302 179.0580 133 V 3.4654 7.6543 118.5008 66.0368 31.2682 178.0362 134 F 4.4449 8.3645 117.7878 60.5718 38.6208 177.9775 135 S 4.1454 7.9969 114.5753 61.5072 62.6380 176.4479 136 L 3.9687 7.9924 121.5923 57.8878 41.4375 179.5683 137 I 3.9381 8.1328 119.8458 64.4566 37.0703 178.6909 138 G 3.6768 8.1740 106.6868 48.0783 0.0000 175.7184 139 L 4.0287 8.1652 120.7767 57.5115 41.6625 178.7365 140 H 4.2493 8.3667 117.6370 58.0611 29.8243 175.7414 141 F 4.6111 8.0477 117.7853 57.8262 40.9092 175.9118 142 K 4.1757 8.1634 122.4318 55.5668 32.3135 176.4829 143 I 3.8601 8.2428 127.8091 60.8088 37.6427 175.9696 144 K 4.0959 8.5417 125.1229 55.7921 32.3110 175.1848 145 P 4.3851 0.0000 0.0000 64.8755 31.6066 176.4332 146 I 4.1373 7.5044 121.9186 61.3710 37.7795 175.0818 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 S 8.33 4.48 0.00 4.03 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 4 D 7.88 4.60 0.00 2.79 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 5 F 8.92 5.51 0.00 3.10 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 6 Y 8.55 4.74 0.00 3.01 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 4.88 0.00 1.29 1.32 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 R 9.11 4.97 0.00 1.67 1.77 0.00 3.19 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 9 Y 8.53 5.29 0.00 2.83 1.43 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 0.00 0.00 0.00 0.00 10 Y 8.06 4.89 0.00 2.97 2.46 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 11 V 7.38 4.46 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 0.67 0.00 0.00 0.95 0.00 0.00 12 G 8.14 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 13 H 8.83 5.50 0.00 3.18 3.57 0.00 5.21 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.46 5.19 0.00 1.76 1.77 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.32 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.33 7.81 15 G 8.71 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 16 K 8.73 3.60 0.00 1.33 0.76 0.00 1.52 0.00 0.00 1.23 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.79 1.20 7.81 17 F 7.89 5.07 0.00 3.42 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 18 G 8.22 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 19 H 8.59 5.28 0.00 3.20 3.43 0.00 5.74 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.94 4.69 0.00 1.64 1.76 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 2.36 2.37 0.00 21 F 8.29 5.12 0.00 2.80 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 22 L 9.06 5.10 0.00 1.72 1.53 1.21 1.37 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 23 E 9.40 5.22 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 2.23 2.44 0.00 24 F 8.50 5.62 0.00 3.14 3.27 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 25 E 9.57 5.17 0.00 1.98 1.77 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 2.16 2.04 0.00 26 F 9.48 5.22 0.00 2.91 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 27 R 9.19 4.93 0.00 2.06 1.99 0.00 3.28 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 28 P 0.00 4.56 0.00 2.15 2.27 0.00 3.90 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00 29 D 8.22 4.63 0.00 2.93 2.89 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 30 G 8.89 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 31 K 8.13 4.17 0.00 1.70 1.63 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.23 0.58 7.81 32 L 9.20 4.86 0.00 1.44 1.50 -0.17 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.97 5.15 0.00 1.75 1.81 0.00 3.12 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 34 Y 9.38 5.45 0.00 3.00 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 35 A 8.99 4.85 1.22 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 36 N 9.02 4.83 0.00 2.32 2.42 0.00 0.00 6.36 6.56 0.00 0.00 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 N 7.75 4.93 0.00 1.81 1.42 0.00 0.00 6.26 7.52 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 38 S 7.90 4.72 0.00 3.77 3.58 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 39 N 8.37 5.37 0.00 3.11 2.81 0.00 0.00 6.51 7.21 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 40 Y 7.99 3.90 0.00 2.64 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 41 K 8.92 3.72 0.00 1.49 1.60 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.75 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.89 0.21 7.81 42 N 8.45 4.23 0.00 2.82 2.93 0.00 0.00 6.78 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.79 4.58 0.00 2.94 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 44 V 7.66 4.71 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 0.74 0.00 0.00 0.91 0.00 0.00 45 M 8.56 4.29 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 46 I 8.58 4.58 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.94 0.00 0.00 47 R 8.58 5.17 0.00 1.62 1.78 0.00 3.18 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 48 K 9.31 4.60 0.00 1.51 0.74 0.00 1.32 0.00 0.00 0.95 0.00 0.00 2.59 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.43 1.15 7.81 49 E 8.69 5.26 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 2.25 2.34 0.00 50 A 8.62 4.49 1.18 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 0.00 0.00 51 Y 8.61 4.95 0.00 2.87 2.93 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 52 V 9.03 4.35 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 0.74 0.00 0.00 1.22 0.00 0.00 53 H 8.89 4.32 0.00 3.18 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.38 4.00 0.00 2.01 2.02 0.00 1.56 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.52 7.81 55 S 8.51 4.13 0.00 4.06 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 0.00 56 V 7.80 3.53 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 1.16 0.00 0.00 0.97 0.00 0.00 57 M 8.08 3.91 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.70 0.00 58 E 8.33 3.76 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 2.50 2.44 0.00 59 E 8.23 3.91 0.00 2.01 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 2.25 2.29 0.00 60 L 7.80 3.75 0.00 1.57 1.47 0.69 -0.47 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 61 K 7.71 3.62 0.00 1.64 1.56 0.00 1.02 0.00 0.00 1.25 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.52 0.21 7.81 62 R 8.30 3.80 0.00 1.82 2.05 0.00 3.06 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 63 I 7.75 3.67 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.77 0.86 0.00 0.00 64 I 7.68 3.90 2.06 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.24 1.04 0.00 0.00 65 D 8.56 4.41 0.00 2.85 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 66 D 8.18 4.44 0.00 2.78 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 67 S 7.74 4.30 0.00 4.01 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 68 E 8.26 3.87 0.00 2.29 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 0.00 2.26 2.44 0.00 69 I 7.64 3.81 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.49 1.05 0.00 0.00 70 T 8.14 4.08 4.43 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 0.00 0.00 0.00 1.40 0.00 0.00 71 K 8.21 4.45 0.00 1.85 1.92 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.57 7.81 72 E 8.42 4.83 0.00 2.39 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 0.00 2.74 2.66 0.00 73 D 8.12 4.57 0.00 2.52 2.35 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 74 D 8.00 3.37 0.00 2.60 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 0.00 0.00 0.00 75 A 7.18 3.78 1.23 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 0.00 0.00 76 L 7.60 4.54 0.00 1.76 1.82 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.44 4.74 0.00 3.20 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 78 P 0.00 4.52 0.00 2.11 2.02 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 79 P 0.00 4.89 0.00 2.10 2.08 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 80 P 0.00 4.43 0.00 2.25 2.19 0.00 3.74 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 2.02 2.01 0.00 81 D 8.07 5.16 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 82 R 8.74 4.08 0.00 1.84 2.05 0.00 3.23 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 83 V 8.19 3.64 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 0.79 0.00 0.00 0.94 0.00 0.00 84 G 7.14 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 0.00 0.00 0.00 0.00 85 R 8.48 5.31 0.00 1.96 1.90 0.00 3.14 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 86 Q 9.58 5.36 0.00 2.37 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 87 E 9.42 5.41 0.00 1.89 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 2.27 2.36 0.00 88 L 9.56 5.42 0.00 2.39 2.18 1.19 0.94 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 89 E 9.77 5.29 0.00 2.14 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 2.30 2.34 0.00 90 I 9.03 4.95 2.04 0.00 0.00 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 1.26 1.03 1.11 0.00 0.00 91 V 9.37 4.95 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 1.07 0.00 0.00 0.87 0.00 0.00 92 I 8.57 4.90 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 1.30 0.00 0.00 93 G 8.30 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 94 D 8.77 4.64 0.00 2.82 2.83 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 95 E 8.08 4.23 0.00 2.16 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 2.37 2.29 0.00 96 H 8.78 5.38 0.00 3.13 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.77 4.74 1.53 0.00 0.00 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 1.36 0.87 0.93 0.00 0.00 98 S 8.03 5.15 0.00 3.60 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 99 F 9.61 5.55 0.00 3.08 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 0.00 100 T 8.62 5.19 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 1.26 0.00 0.00 101 T 8.57 4.76 4.57 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 1.27 0.00 0.00 102 S 8.38 4.92 0.00 4.01 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 0.00 103 K 8.64 4.39 0.00 1.73 1.86 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.44 7.81 104 I 8.29 4.33 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.74 0.00 0.00 105 G 9.17 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 0.00 106 S 7.42 4.64 0.00 3.95 3.98 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 0.00 0.00 0.00 0.00 107 L 8.49 3.48 0.00 1.63 1.67 1.01 0.37 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 0.00 108 I 7.65 3.60 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.31 0.86 0.00 0.00 109 D 8.01 4.28 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.21 3.37 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 0.91 0.00 0.00 0.23 0.00 0.00 111 N 8.11 4.33 0.00 2.65 2.83 0.00 0.00 7.15 7.37 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 0.00 112 Q 7.98 4.15 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.90 0.00 0.00 0.00 0.00 0.00 2.69 2.40 0.00 113 S 7.31 4.43 0.00 4.04 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 0.00 114 K 8.02 4.20 0.00 2.00 1.83 0.00 1.95 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 115 D 8.74 4.45 0.00 3.07 2.93 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 0.00 116 P 0.00 4.52 0.00 2.21 2.16 0.00 3.95 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 117 E 8.27 4.22 0.00 1.98 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 2.35 2.41 0.00 118 G 8.32 4.54 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 0.00 0.00 0.00 119 L 7.55 3.06 0.00 1.26 1.32 -0.68 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.91 3.74 0.00 2.19 1.93 0.00 3.46 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 121 V 7.84 3.73 2.35 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 1.11 0.00 0.00 1.09 0.00 0.00 122 F 7.96 4.05 0.00 2.76 2.83 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 0.00 123 Y 8.11 4.01 0.00 2.92 2.77 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 0.00 124 Y 7.64 4.12 0.00 3.15 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 0.00 125 L 7.97 3.86 0.00 1.83 1.68 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.50 3.06 1.64 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 0.37 0.00 0.00 -0.14 0.00 0.00 127 Q 7.31 3.75 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 128 D 8.23 4.27 0.00 2.73 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 0.00 129 L 8.01 3.88 0.00 1.72 1.79 0.97 1.10 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 0.00 130 K 7.95 3.23 0.00 1.55 0.94 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.37 7.81 131 C 7.74 3.92 0.00 3.08 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 0.00 132 L 7.75 3.86 0.00 1.72 1.68 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.65 3.47 1.22 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 0.82 0.00 0.00 0.12 0.00 0.00 134 F 8.36 4.44 0.00 2.98 2.91 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 0.00 135 S 8.00 4.15 0.00 4.02 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 0.00 136 L 7.99 3.97 0.00 1.84 1.73 1.09 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.13 3.94 1.67 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 1.48 0.56 0.41 0.00 0.00 138 G 8.17 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 0.00 139 L 8.17 4.03 0.00 1.71 1.74 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.37 4.25 0.00 3.12 3.13 0.00 5.90 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.05 4.61 0.00 3.09 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 0.00 142 K 8.16 4.18 0.00 1.73 1.91 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.40 7.81 143 I 8.24 3.86 1.87 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 1.41 0.66 0.91 0.00 0.00 144 K 8.54 4.10 0.00 1.73 1.76 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 145 P 0.00 4.39 0.00 2.02 2.11 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 146 I 7.50 4.14 1.86 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 1.27 0.60 0.90 0.00 0.00