NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.7297 0.0000 0.0000 62.8715 32.6770 175.2603 9 G 4.2747 9.1204 109.2674 43.0083 0.0000 169.6228 10 K 5.4243 9.0410 121.9590 54.2506 35.7486 174.0103 11 A 5.0260 9.1291 126.4075 52.1275 19.9733 176.6823 12 T 4.6537 9.4774 111.2586 60.3043 72.7546 172.6007 13 G 3.5528 10.1495 114.5696 44.8682 0.0000 173.4301 14 K 4.4028 8.0785 123.2908 55.4142 30.1425 177.6609 15 G 4.0734 7.7920 105.6296 45.2670 0.0000 172.6150 16 K 4.6696 8.0839 117.4376 53.6322 36.1284 174.1285 17 P 4.7483 0.0000 0.0000 62.8916 31.8049 176.3279 18 V 4.5043 7.9286 114.3818 59.7111 35.6499 175.0632 19 G 4.1164 8.2659 110.6709 43.6452 0.0000 173.1190 20 D 4.5182 8.2738 118.2655 54.7981 40.0342 176.4929 21 K 4.1269 9.1581 119.8191 56.5249 30.3506 178.4890 22 W 4.3283 8.4309 118.7592 59.4471 28.2726 177.9022 23 L 3.4920 7.0874 117.6561 56.1477 41.3990 178.5454 24 D 4.4042 7.6807 118.1274 57.3359 40.7657 177.1591 25 D 4.5628 7.7995 116.3475 55.2382 41.1584 177.8659 26 A 4.2875 8.1828 123.4626 54.2029 18.6083 179.0957 27 G 3.9297 8.0637 103.3798 45.0657 0.0000 173.3762 28 K 4.7283 7.5072 118.4749 55.0268 36.5595 177.7944 29 D 4.0844 8.2044 121.1208 56.3830 39.9420 174.9266 30 S 4.4857 8.8071 123.6903 59.2895 62.7110 173.3616 31 G 3.8238 8.1177 106.9568 44.2370 0.0000 172.8580 32 A 4.7439 9.0038 120.4001 50.1314 20.2890 175.8320 33 P 4.7856 0.0000 0.0000 62.4458 32.8397 176.1895 34 I 3.8737 8.2694 121.8643 60.7373 38.2768 174.2726 35 P 4.6640 0.0000 0.0000 62.0537 32.2017 177.2386 36 D 5.1226 8.5108 123.6309 56.3614 39.1693 179.3026 37 R 3.8710 7.7730 118.9126 58.9045 30.1006 179.0135 38 I 3.5465 7.3255 118.9220 64.3251 37.2564 178.0249 39 A 4.0143 7.8422 121.5474 55.3514 17.8810 179.2586 40 D 4.4140 7.7038 116.1720 56.9165 41.0743 178.8212 41 K 4.1269 7.7805 118.1361 58.5678 32.4887 178.3746 42 L 4.5590 7.7193 117.7944 53.8613 42.3492 176.8335 43 R 4.2767 7.4482 116.3662 57.5357 29.6629 175.7773 44 D 4.4195 9.3550 120.2117 55.2235 40.4384 173.2271 45 K 4.3880 7.7504 115.4675 54.6717 34.2403 175.0862 46 E 4.8240 8.1141 123.5961 54.6347 31.4644 174.9398 47 F 4.8568 9.0347 125.2680 55.5678 41.7510 176.6905 48 K 4.1700 9.1728 123.5417 59.0641 32.3711 176.9740 49 S 4.8798 7.8071 111.6876 55.5440 66.3049 174.7623 50 F 4.9891 9.0419 123.9977 61.1835 39.0165 176.7739 51 D 4.4617 8.0078 118.5316 57.7472 40.6719 178.6360 52 D 4.5115 8.0088 119.1440 56.8848 40.8422 178.6966 53 F 2.5959 7.7242 121.0174 60.4381 39.3951 176.9306 54 R 3.3161 7.5629 118.4778 59.1049 29.7680 178.1461 55 K 4.3291 8.4829 120.7507 58.9298 32.1470 178.1328 56 A 3.8769 7.6306 120.8248 55.2689 18.2146 179.5538 57 V 2.9909 6.8808 116.2533 65.9957 31.5441 178.3630 58 W 4.3558 7.6028 117.9552 59.6324 28.7112 178.4171 59 E 4.1549 8.3392 118.1433 59.6690 28.6911 179.0571 60 E 4.0649 8.3419 118.5773 59.0292 29.3211 179.4363 61 V 3.6242 7.8363 118.8401 66.0478 31.4269 178.2826 62 S 4.2839 7.9577 112.1256 60.6342 62.8307 175.3988 63 K 4.7152 7.3096 119.7416 55.2261 32.6988 176.2284 64 D 4.5892 7.5201 120.4209 51.8277 41.3274 174.6874 65 P 3.8840 0.0000 0.0000 65.7846 32.3466 178.3776 66 E 4.0479 7.9722 121.0928 59.3420 29.8963 178.6359 67 L 4.2258 7.7739 117.9565 56.1891 42.1460 177.7375 68 S 4.7486 7.9971 112.6959 58.6585 64.1191 176.4737 69 K 4.0367 7.8079 120.1137 59.7863 32.2297 177.5951 70 N 4.6356 8.1089 114.2415 53.7940 38.9900 175.0410 71 L 4.2201 7.9953 120.5696 54.0171 42.4693 177.3466 72 N 4.6536 8.5631 121.0665 51.9681 39.6247 174.2491 73 P 4.2586 0.0000 0.0000 65.8334 31.3436 178.8772 74 S 4.1223 8.0807 111.2850 61.6641 62.4480 175.9350 75 N 4.4582 9.1500 119.4010 55.9575 38.1966 177.6435 76 K 4.0273 8.2049 120.5461 59.3735 31.8532 179.4796 77 S 4.1069 8.0376 114.2876 61.4857 63.0221 176.5559 78 S 4.0385 8.1284 118.9399 61.5899 62.6169 177.2864 79 V 3.9311 7.9803 114.9201 63.9833 31.0699 178.6215 80 S 4.1280 7.8765 113.6945 60.9491 62.6523 175.8365 81 K 4.2134 7.2116 118.6862 55.3936 32.1614 177.4720 82 G 4.0181 8.1250 108.3972 45.6862 0.0000 172.9624 83 Y 4.7569 7.3860 116.9609 56.9253 38.8869 175.6883 84 S 2.7966 8.3260 117.7138 57.1890 63.4312 172.0054 85 P 4.3458 0.0000 0.0000 62.2961 32.8150 175.3455 86 F 4.5766 8.9100 120.6985 57.6651 39.6054 175.7276 87 T 4.0047 8.0407 113.3172 59.5845 70.5809 172.5971 88 P 4.2672 0.0000 0.0000 63.2951 32.1719 178.3481 89 K 3.9011 8.8353 122.8268 57.8532 31.5916 178.9780 90 N 4.5803 8.0610 114.6014 54.5540 37.5753 175.3821 91 Q 4.3074 7.9686 117.5649 56.1513 29.4064 175.3077 92 Q 4.7230 7.7065 117.6590 54.7495 30.2016 175.5190 93 V 4.3451 8.4490 120.2859 62.2937 35.3001 175.2605 94 G 4.1348 8.5269 116.9118 47.1453 0.0000 174.5332 95 G 3.7132 8.7703 112.7792 45.8160 0.0000 173.4429 96 R 4.2947 8.3198 121.1956 55.1815 29.3125 176.7465 97 K 4.5721 8.4292 121.0641 55.7115 34.1243 176.1876 98 V 4.5942 7.1745 110.6875 58.8999 35.2972 175.0091 99 Y 4.4068 8.1473 119.7601 58.4645 38.6187 175.7812 100 E 4.9977 9.5142 121.4709 54.6163 33.5678 175.0451 101 L 5.0196 8.9244 123.3461 54.5887 43.1595 175.6526 102 H 5.0804 9.4887 123.0836 54.2472 33.2532 172.0355 103 A 4.5577 8.7294 127.5841 51.1918 18.4587 176.2387 104 D 4.4371 8.6795 123.4843 57.1928 41.6610 177.1536 105 K 4.6907 8.1643 115.5201 53.7579 36.0015 175.2592 106 P 4.6607 0.0000 0.0000 62.5771 29.5714 176.3160 107 I 4.4880 7.1425 107.8004 61.2125 38.7285 177.5442 108 S 4.0889 8.1452 115.9067 59.8197 63.4851 173.4378 109 Q 3.6452 8.5625 119.7295 57.2538 25.6533 173.2844 110 G 3.4966 8.7102 98.9395 46.9501 0.0000 175.0838 111 G 3.7792 8.7990 106.9359 45.1954 0.0000 175.5173 112 E 4.1562 7.6521 120.7054 57.5862 30.0177 176.2821 113 V 4.7942 7.4838 117.1943 60.2267 34.7280 175.4543 114 Y 4.1540 8.7547 121.6668 56.3662 38.9344 174.0978 115 D 4.5061 8.3171 124.9121 53.5175 41.7413 175.8793 116 M 4.5041 9.0340 125.2780 56.3482 31.5110 177.2630 117 D 4.6037 8.8299 120.5355 55.6729 42.1773 178.1885 118 N 4.4322 8.1295 117.0884 55.5403 39.5252 174.5594 119 I 4.6865 7.9056 119.3984 61.0162 37.9278 175.9574 120 R 4.9565 9.4573 124.8475 54.4432 34.9612 174.2743 121 V 4.8905 9.0646 121.5829 61.8306 33.2593 174.8973 122 T 5.9469 9.2423 117.2987 59.0382 72.9636 172.8490 123 T 4.5006 8.3092 111.4697 60.2037 70.7156 173.9487 124 P 4.2528 0.0000 0.0000 65.7876 31.3709 178.6063 125 K 3.8260 8.0913 118.1880 59.7260 32.0810 178.6923 126 R 3.8741 7.7935 118.2326 59.5299 30.0078 177.7191 127 H 4.1058 8.6967 118.3804 59.5022 29.4175 177.0089 128 I 3.6807 7.8615 121.3942 64.6573 36.7548 178.0164 129 D 4.3899 7.8621 118.1036 57.4727 40.7223 178.5599 130 I 3.8075 7.8758 119.3178 64.0504 37.4297 176.6305 131 H 4.4461 7.1506 114.5493 55.5702 29.2507 175.7124 132 R 4.3587 8.2959 120.7155 54.4130 29.8837 177.1406 133 G 3.9710 8.1589 111.1141 46.0370 0.0000 171.9622 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 8 P 0.00 4.73 0.00 2.14 2.18 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 9 G 9.12 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 0.00 0.00 0.00 0.00 10 K 9.04 5.42 0.00 1.77 1.74 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.38 7.81 11 A 9.13 5.03 1.57 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 12 T 9.48 4.65 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 1.24 0.00 0.00 13 G 10.15 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.40 0.00 1.95 2.26 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.23 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.42 7.81 15 G 7.79 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 16 K 8.08 4.67 0.00 1.83 1.64 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.42 7.81 17 P 0.00 4.75 0.00 2.02 1.95 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 18 V 7.93 4.50 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 0.81 0.00 0.00 0.54 0.00 0.00 19 G 8.27 4.12 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 0.00 0.00 0.00 20 D 8.27 4.52 0.00 3.06 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 21 K 9.16 4.13 0.00 2.12 2.10 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.40 7.81 22 W 8.43 4.33 0.00 3.59 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 23 L 7.09 3.49 0.00 1.23 1.11 0.40 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.68 4.40 0.00 2.84 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 25 D 7.80 4.56 0.00 3.09 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 26 A 8.18 4.29 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 3.93 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 0.00 0.00 0.00 28 K 7.51 4.73 0.00 1.78 1.68 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.35 1.39 7.81 29 D 8.20 4.08 0.00 2.80 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 30 S 8.81 4.49 0.00 3.90 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 31 G 8.12 3.82 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 0.00 0.00 0.00 32 A 9.00 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.79 0.00 2.11 2.11 0.00 3.94 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 34 I 8.27 3.87 1.96 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 1.54 1.20 0.77 0.00 0.00 35 P 0.00 4.66 0.00 1.70 1.43 0.00 3.13 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 0.59 0.85 0.00 36 D 8.51 5.12 0.00 2.93 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 37 R 7.77 3.87 0.00 1.72 1.92 0.00 3.05 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 38 I 7.33 3.55 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 0.65 0.00 0.00 39 A 7.84 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.70 4.41 0.00 2.66 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 41 K 7.78 4.13 0.00 1.86 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.66 7.81 42 L 7.72 4.56 0.00 1.78 1.88 0.63 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.45 4.28 0.00 1.96 2.10 0.00 3.22 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 44 D 9.36 4.42 0.00 2.76 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 45 K 7.75 4.39 0.00 2.21 1.14 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.21 7.81 46 E 8.11 4.82 0.00 1.85 1.66 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 2.17 2.30 0.00 47 F 9.03 4.86 0.00 3.07 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 48 K 9.17 4.17 0.00 2.02 1.95 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.47 7.81 49 S 7.81 4.88 0.00 4.05 4.03 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 0.00 0.00 0.00 50 F 9.04 4.99 0.00 3.31 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 51 D 8.01 4.46 0.00 2.77 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 52 D 8.01 4.51 0.00 2.95 2.92 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 0.00 0.00 0.00 53 F 7.72 2.60 0.00 1.51 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 0.00 0.00 0.00 0.00 54 R 7.56 3.32 0.00 1.75 2.04 0.00 3.87 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 55 K 8.48 4.33 0.00 1.95 1.98 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.25 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.39 7.81 56 A 7.63 3.88 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 57 V 6.88 2.99 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 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 58 W 7.60 4.36 0.00 3.60 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 59 E 8.34 4.15 0.00 1.90 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 2.35 2.55 0.00 60 E 8.34 4.06 0.00 1.98 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 2.40 2.36 0.00 61 V 7.84 3.62 2.50 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 1.43 0.00 0.00 0.82 0.00 0.00 62 S 7.96 4.28 0.00 4.13 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 63 K 7.31 4.72 0.00 1.76 1.84 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.63 7.81 64 D 7.52 4.59 0.00 2.72 2.56 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 0.00 0.00 0.00 0.00 65 P 0.00 3.88 0.00 2.22 1.95 0.00 3.71 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 2.10 2.16 0.00 66 E 7.97 4.05 0.00 1.92 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 2.31 2.26 0.00 67 L 7.77 4.23 0.00 1.50 1.62 0.47 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.00 4.75 0.00 4.09 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 69 K 7.81 4.04 0.00 1.86 2.14 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.64 7.81 70 N 8.11 4.64 0.00 2.81 2.94 0.00 0.00 6.94 7.85 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 71 L 8.00 4.22 0.00 1.87 1.65 1.03 0.88 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 72 N 8.56 4.65 0.00 3.01 2.98 0.00 0.00 6.26 7.76 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 73 P 0.00 4.26 0.00 2.19 2.16 0.00 3.61 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 2.12 2.16 0.00 74 S 8.08 4.12 0.00 3.91 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 75 N 9.15 4.46 0.00 2.83 2.85 0.00 0.00 7.09 7.63 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 76 K 8.20 4.03 0.00 2.05 1.87 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.48 7.81 77 S 8.04 4.11 0.00 4.09 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 78 S 8.13 4.04 0.00 4.04 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 79 V 7.98 3.93 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 0.82 0.00 0.00 1.07 0.00 0.00 80 S 7.88 4.13 0.00 4.00 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 81 K 7.21 4.21 0.00 1.02 1.08 0.00 1.24 0.00 0.00 1.13 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.15 1.19 7.81 82 G 8.13 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 0.00 0.00 0.00 83 Y 7.39 4.76 0.00 2.81 2.56 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 0.00 0.00 0.00 0.00 84 S 8.33 2.80 0.00 3.69 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 85 P 0.00 4.35 0.00 2.19 1.98 0.00 2.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.44 0.00 86 F 8.91 4.58 0.00 2.91 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 87 T 8.04 4.00 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 0.09 0.00 0.00 88 P 0.00 4.27 0.00 2.29 2.02 0.00 3.50 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 89 K 8.84 3.90 0.00 1.68 1.83 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.02 7.81 90 N 8.06 4.58 0.00 2.79 2.96 0.00 0.00 5.98 7.39 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 91 Q 7.97 4.31 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 92 Q 7.71 4.72 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 93 V 8.45 4.35 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 1.04 0.00 0.00 0.94 0.00 0.00 94 G 8.53 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 0.00 0.00 0.00 0.00 95 G 8.77 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 96 R 8.32 4.29 0.00 2.02 2.03 0.00 3.06 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 97 K 8.43 4.57 0.00 2.03 2.08 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.65 7.81 98 V 7.17 4.59 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 -0.20 0.00 0.00 0.77 0.00 0.00 99 Y 8.15 4.41 0.00 2.90 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 0.00 100 E 9.51 5.00 0.00 1.97 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 2.33 2.49 0.00 101 L 8.92 5.02 0.00 1.99 1.91 0.75 0.99 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 0.00 102 H 9.49 5.08 0.00 2.90 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.73 4.56 1.28 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 0.00 0.00 104 D 8.68 4.44 0.00 2.70 2.98 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 0.00 105 K 8.16 4.69 0.00 1.74 1.64 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.48 7.81 106 P 0.00 4.66 0.00 2.16 2.09 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 107 I 7.14 4.49 1.85 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 1.63 0.69 0.90 0.00 0.00 108 S 8.15 4.09 0.00 3.96 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 0.00 109 Q 8.56 3.65 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.38 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 110 G 8.71 3.50 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 0.00 0.00 0.00 0.00 111 G 8.80 3.78 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 0.00 0.00 0.00 112 E 7.65 4.16 0.00 2.14 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 2.29 2.23 0.00 113 V 7.48 4.79 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 0.74 0.00 0.00 0.97 0.00 0.00 114 Y 8.75 4.15 0.00 2.49 1.81 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 0.00 115 D 8.32 4.51 0.00 2.70 2.56 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 0.00 0.00 0.00 0.00 116 M 9.03 4.50 0.00 1.98 2.24 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 3.00 2.76 0.00 117 D 8.83 4.60 0.00 2.86 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 0.00 118 N 8.13 4.43 0.00 2.80 2.94 0.00 0.00 7.26 7.94 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 0.00 119 I 7.91 4.69 2.00 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 1.35 0.81 1.13 0.00 0.00 120 R 9.46 4.96 0.00 1.77 1.93 0.00 3.26 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 121 V 9.06 4.89 2.11 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 1.06 0.00 0.00 1.05 0.00 0.00 122 T 9.24 5.95 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 1.21 0.00 0.00 123 T 8.31 4.50 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 1.18 0.00 0.00 124 P 0.00 4.25 0.00 2.27 2.15 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 125 K 8.09 3.83 0.00 1.94 1.80 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 126 R 7.79 3.87 0.00 1.98 1.93 0.00 3.21 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 127 H 8.70 4.11 0.00 3.35 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.86 3.68 1.87 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 1.50 0.89 0.91 0.00 0.00 129 D 7.86 4.39 0.00 2.79 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 0.00 130 I 7.88 3.81 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.54 0.76 0.00 0.00 131 H 7.15 4.45 0.00 3.13 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.30 4.36 0.00 1.80 1.90 0.00 3.54 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 133 G 8.16 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