NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4465 8.3044 120.3233 55.2421 32.9119 173.7984 2 V 4.3436 7.9213 122.0773 61.4282 35.0064 173.5252 3 Y 4.0928 8.9979 128.9055 57.8792 40.3711 173.5572 4 Q 4.7200 7.4622 127.7581 53.9239 30.4801 175.6528 5 V 3.9848 7.9605 120.2623 61.8744 32.2182 176.2253 6 K 4.3155 8.4373 120.8465 57.6301 33.5532 176.4281 7 D 4.4841 7.3607 116.8307 51.4476 42.8397 176.1173 8 K 4.0034 8.4649 119.2129 59.4523 32.0111 178.4118 9 A 4.0010 8.1538 121.0042 55.1698 18.2745 179.0688 10 D 4.3382 8.0845 115.2649 57.3553 41.1550 178.3136 11 L 3.9946 8.0457 121.0053 58.1954 42.2576 178.5930 12 D 4.4992 8.3118 119.0943 57.3840 40.7575 179.1013 13 G 3.6413 8.2342 106.2924 47.5025 0.0000 175.6919 14 Q 3.9839 8.2424 121.4089 58.7527 29.3715 178.0817 15 L 4.1640 8.3011 120.7138 57.9729 41.6593 179.4467 16 T 3.8775 7.7521 109.3074 64.8962 68.3715 176.3298 17 K 4.0322 8.0390 121.0843 58.7523 32.5164 178.1774 18 A 3.9925 7.8233 120.2670 53.1504 18.4015 178.1734 19 S 3.3569 8.1692 111.5128 59.8965 62.1527 172.6073 20 G 4.4345 8.6635 105.8045 45.2356 0.0000 173.1149 21 K 4.4182 7.7197 119.2054 55.0897 33.6042 176.3993 22 L 4.4298 8.4222 123.9766 54.9191 43.4234 175.4890 23 V 4.7285 9.0634 126.3323 61.1166 34.2085 174.2952 24 V 4.2710 8.6437 128.1200 61.1374 33.5384 174.1168 25 L 4.5169 8.5763 129.7973 53.7073 43.3296 175.5409 26 D 4.8733 8.9506 124.9549 52.4011 42.8822 174.7198 27 F 4.8296 8.7341 126.5964 56.8014 40.2072 175.1296 28 F 5.3095 9.0351 118.1479 55.1856 42.2964 173.1600 29 A 4.2635 7.9157 118.7933 49.9872 21.5958 177.5778 30 T 3.8707 7.6625 109.9651 64.3526 68.8960 175.4964 31 W 4.3753 7.4014 116.1218 56.9526 28.9880 176.8119 32 C 4.6427 7.5539 121.1365 55.2571 44.6991 173.6795 33 G 3.6884 8.7052 115.7576 47.7576 0.0000 172.7167 34 P 4.3231 0.0000 0.0000 65.1709 31.0671 179.5016 35 C 4.3250 7.9970 114.4671 59.9291 35.5936 175.7335 36 K 3.9932 7.9585 119.7118 59.5260 31.4292 179.1491 37 M 4.0907 8.1894 117.6613 57.7710 32.3302 177.1227 38 I 4.1849 7.5504 117.3711 61.4030 38.6019 176.9122 39 S 4.0511 7.5771 114.4545 61.7894 62.2377 174.2781 40 P 4.2546 0.0000 0.0000 65.4965 31.1097 178.5185 41 K 4.0251 8.0212 117.9506 59.3095 32.0727 178.8035 42 L 3.9972 7.7484 119.7192 57.5664 41.5676 179.4549 43 V 3.6519 7.5895 119.1239 65.3269 31.4717 177.6999 44 E 3.9326 8.0744 118.6212 59.4469 29.5701 178.8659 45 L 4.4641 8.1660 119.2728 57.7709 41.6564 179.6931 46 S 4.2600 8.6085 115.1824 61.4771 62.7863 176.7543 47 T 4.0030 7.8279 112.6206 64.6747 68.8557 176.4124 48 Q 3.9543 8.5077 121.8200 57.5239 29.2490 176.4828 49 F 4.7082 8.1097 117.9116 56.7723 39.5864 175.4566 50 A 4.3882 7.7858 123.0796 53.4742 18.8913 177.2642 51 D 5.1955 8.9384 120.7822 54.1624 39.6670 175.3992 52 N 5.0508 7.9230 113.0202 52.8883 41.4609 174.7710 53 V 4.9179 8.1594 117.8691 60.9073 35.0427 174.7684 54 V 4.3639 8.8029 126.8692 61.1601 34.0269 174.1015 55 V 4.5997 8.4887 128.2476 61.4212 32.9342 174.6036 56 L 4.8962 8.8216 128.4435 52.8171 44.5926 175.2325 57 K 4.6523 8.7672 125.7594 54.8721 34.2983 175.1186 58 V 4.2052 8.5546 127.6325 60.9142 34.0772 173.8413 59 D 3.8690 8.4419 128.9288 53.5128 41.3996 177.2931 60 V 3.9126 8.0443 120.6100 64.3517 31.5527 177.8409 61 D 4.5226 8.4206 120.0621 56.4300 40.9559 177.0972 62 E 4.3409 8.1593 116.8549 57.1338 31.3199 176.0959 63 C 4.9263 8.2677 115.9966 57.9543 28.3834 174.4613 64 E 4.0845 8.1053 122.3280 59.8365 29.5509 179.0856 65 D 4.3879 8.0855 118.2433 57.4770 40.9157 178.7976 66 I 3.9414 7.8263 119.6613 64.1404 37.2388 178.0123 67 A 3.9190 8.1019 121.7596 55.4741 18.2538 179.4094 68 M 3.9383 8.2623 116.7136 58.7243 32.1055 177.8650 69 E 3.9280 8.2038 118.4669 59.1667 29.7927 177.4812 70 Y 4.2162 7.8251 113.7698 56.2753 39.1862 175.1478 71 N 4.0471 7.7671 117.2833 54.5300 37.7677 174.2655 72 I 4.0821 7.4705 118.4550 60.8236 38.5593 176.8788 73 S 4.6431 8.3607 114.9994 57.7381 65.6191 174.1428 74 S 4.8576 7.9407 115.5062 56.6786 65.8063 172.9217 75 M 4.6557 8.3783 122.3663 52.8056 34.7781 173.8886 76 P 4.6623 0.0000 0.0000 62.5067 33.8415 174.6880 77 T 4.6712 7.9998 116.5846 61.6943 72.0783 172.9429 78 F 4.9951 8.4623 124.8065 55.5841 41.5823 174.5556 79 V 4.6695 8.3252 124.0500 61.0683 34.0560 174.0526 80 F 5.2996 9.5478 127.2499 55.9205 41.0605 174.8119 81 L 5.4547 8.9637 123.6617 53.0472 45.3020 175.9362 82 K 4.5973 9.1096 123.0052 55.6621 35.9210 175.8434 83 N 4.0290 9.7985 127.1204 54.5185 36.1609 174.2997 84 G 4.0821 8.2807 97.7015 46.2250 0.0000 173.9862 85 V 4.2554 7.5137 118.1326 60.7122 34.5727 173.6658 86 K 4.7539 8.6997 128.9779 55.8802 31.0770 176.3101 87 V 3.8752 8.5991 127.7059 64.5870 32.1896 175.6083 88 E 4.8965 8.1253 119.5683 56.1082 32.8743 173.9714 89 E 5.8332 9.1430 120.7672 56.5910 32.5324 173.8649 90 F 5.1230 8.4023 117.7105 56.2964 41.0385 172.5637 91 A 5.0341 8.9426 122.4721 51.3008 21.5348 176.5211 92 G 4.1904 9.1159 108.3399 45.0831 0.0000 174.8790 93 A 4.5357 8.3810 125.1243 50.8540 17.2038 178.3737 94 N 4.7480 8.0778 119.6711 51.0462 39.3862 173.8429 95 A 4.0092 8.3462 129.5237 54.9079 18.6925 178.9043 96 K 3.8995 8.0206 117.5670 59.4839 32.3884 178.9221 97 R 3.6842 8.4385 119.2719 59.0621 29.8277 177.9910 98 L 4.1866 8.2864 120.6531 58.5216 41.9727 178.7276 99 E 3.8672 8.2209 118.9343 59.1331 29.5363 178.3683 100 D 4.2541 8.0454 119.0640 57.3331 40.6872 178.9232 101 V 3.3328 7.3600 117.0983 65.8853 31.7977 177.7712 102 I 3.6898 7.2538 119.1060 64.4712 36.7472 178.5985 103 K 3.8607 7.7694 117.6450 59.3345 31.9451 178.8647 104 A 4.2315 7.8595 119.4059 53.5530 18.4588 177.6635 105 N 4.8738 7.4284 112.3367 52.7298 39.9295 174.4333 106 I 3.9172 7.6860 124.1616 61.2558 38.1171 175.4124 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 M 8.30 4.45 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 2 V 7.92 4.34 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 0.66 0.00 0.00 0.89 0.00 0.00 3 Y 9.00 4.09 0.00 3.06 2.85 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 4 Q 7.46 4.72 0.00 1.91 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.12 2.53 0.00 5 V 7.96 3.98 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 0.73 0.00 0.00 0.85 0.00 0.00 6 K 8.44 4.32 0.00 1.77 1.84 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.56 7.81 7 D 7.36 4.48 0.00 2.82 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 8 K 8.46 4.00 0.00 1.90 1.89 0.00 1.76 0.00 0.00 2.06 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.57 7.81 9 A 8.15 4.00 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 10 D 8.08 4.34 0.00 3.05 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 11 L 8.05 3.99 0.00 1.84 1.86 0.88 1.39 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 12 D 8.31 4.50 0.00 2.97 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 13 G 8.23 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 14 Q 8.24 3.98 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 15 L 8.30 4.16 0.00 1.92 1.73 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.75 3.88 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 1.28 0.00 0.00 17 K 8.04 4.03 0.00 1.85 2.00 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.42 7.81 18 A 7.82 3.99 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 19 S 8.17 3.36 0.00 4.04 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 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 0.00 0.00 0.00 0.00 21 K 7.72 4.42 0.00 1.79 1.91 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.52 7.81 22 L 8.42 4.43 0.00 1.85 1.56 1.10 0.89 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 23 V 9.06 4.73 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 0.93 0.00 0.00 0.95 0.00 0.00 24 V 8.64 4.27 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 0.74 0.00 0.00 0.98 0.00 0.00 25 L 8.58 4.52 0.00 1.35 0.90 0.45 0.43 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 26 D 8.95 4.87 0.00 2.80 2.44 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 27 F 8.73 4.83 0.00 2.94 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 28 F 9.04 5.31 0.00 2.96 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 29 A 7.92 4.26 -0.28 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 30 T 7.66 3.87 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 31 W 7.40 4.38 0.00 3.55 3.25 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 32 C 7.55 4.64 0.00 2.24 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 33 G 8.71 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.32 0.00 2.19 2.16 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 35 C 8.00 4.32 0.00 3.08 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 36 K 7.96 3.99 0.00 1.98 1.85 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.58 7.81 37 M 8.19 4.09 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 38 I 7.55 4.18 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.22 1.17 0.00 0.00 39 S 7.58 4.05 0.00 3.93 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 40 P 0.00 4.25 0.00 2.20 2.08 0.00 3.75 0.00 0.00 3.81 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 41 K 8.02 4.03 0.00 1.88 1.98 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.59 7.81 42 L 7.75 4.00 0.00 1.85 1.68 1.03 0.72 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 43 V 7.59 3.65 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 1.12 0.00 0.00 0.96 0.00 0.00 44 E 8.07 3.93 0.00 2.13 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 0.00 2.35 2.36 0.00 45 L 8.17 4.46 0.00 1.92 1.81 0.92 0.86 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 46 S 8.61 4.26 0.00 4.05 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 47 T 7.83 4.00 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 1.26 0.00 0.00 48 Q 8.51 3.95 0.00 1.90 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.44 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 49 F 8.11 4.71 0.00 3.38 3.03 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 A 7.79 4.39 1.29 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 0.00 0.00 0.00 51 D 8.94 5.20 0.00 2.89 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 N 7.92 5.05 0.00 2.76 2.89 0.00 0.00 6.51 7.68 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 53 V 8.16 4.92 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 0.81 0.00 0.00 0.93 0.00 0.00 54 V 8.80 4.36 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 0.97 0.00 0.00 0.94 0.00 0.00 55 V 8.49 4.60 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 0.82 0.00 0.00 0.94 0.00 0.00 56 L 8.82 4.90 0.00 1.54 1.42 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.77 4.65 0.00 1.67 1.54 0.00 1.16 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.22 7.81 58 V 8.55 4.21 1.15 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 0.80 0.00 0.00 0.36 0.00 0.00 59 D 8.44 3.87 0.00 2.47 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 0.00 0.00 0.00 0.00 60 V 8.04 3.91 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 0.71 0.00 0.00 0.83 0.00 0.00 61 D 8.42 4.52 0.00 2.77 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 62 E 8.16 4.34 0.00 1.86 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 2.22 2.28 0.00 63 C 8.27 4.93 0.00 2.98 2.85 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 64 E 8.11 4.08 0.00 2.02 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 2.53 2.42 0.00 65 D 8.09 4.39 0.00 2.75 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 66 I 7.83 3.94 2.13 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 1.69 0.62 1.18 0.00 0.00 67 A 8.10 3.92 1.39 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 0.00 0.00 0.00 68 M 8.26 3.94 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 69 E 8.20 3.93 0.00 2.09 2.28 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 1.89 2.21 0.00 70 Y 7.83 4.22 0.00 2.58 2.70 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 71 N 7.77 4.05 0.00 2.76 2.76 0.00 0.00 7.09 7.29 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 72 I 7.47 4.08 1.64 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.34 0.72 0.00 0.00 73 S 8.36 4.64 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 74 S 7.94 4.86 0.00 3.84 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 75 M 8.38 4.66 0.00 1.75 1.81 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.21 0.00 76 P 0.00 4.66 0.00 1.44 1.99 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 77 T 8.00 4.67 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 1.11 0.00 0.00 78 F 8.46 5.00 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 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 4.67 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 1.22 0.00 0.00 1.07 0.00 0.00 80 F 9.55 5.30 0.00 3.16 3.02 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 81 L 8.96 5.45 0.00 1.58 1.60 1.08 0.97 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 82 K 9.11 4.60 0.00 1.85 1.65 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.46 7.81 83 N 9.80 4.03 0.00 2.92 2.83 0.00 0.00 7.00 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 84 G 8.28 4.08 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 0.00 0.00 0.00 85 V 7.51 4.26 2.27 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 0.95 0.00 0.00 1.01 0.00 0.00 86 K 8.70 4.75 0.00 1.85 1.83 0.00 1.98 0.00 0.00 1.90 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.58 7.81 87 V 8.60 3.88 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 0.88 0.00 0.00 0.94 0.00 0.00 88 E 8.13 4.90 0.00 2.02 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 2.34 2.27 0.00 89 E 9.14 5.83 0.00 2.13 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 2.26 2.33 0.00 90 F 8.40 5.12 0.00 3.15 3.20 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 91 A 8.94 5.03 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 92 G 9.12 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.54 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.08 4.75 0.00 2.82 2.73 0.00 0.00 6.93 8.48 0.00 0.00 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 A 8.35 4.01 1.35 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 0.00 0.00 96 K 8.02 3.90 0.00 1.78 1.77 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.49 1.41 7.81 97 R 8.44 3.68 0.00 1.70 1.62 0.00 2.67 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.20 0.00 98 L 8.29 4.19 0.00 1.84 1.83 0.46 0.39 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 99 E 8.22 3.87 0.00 2.09 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 2.30 2.35 0.00 100 D 8.05 4.25 0.00 2.86 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.36 3.33 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 -0.38 0.00 0.00 0.75 0.00 0.00 102 I 7.25 3.69 1.66 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 1.53 1.09 0.08 0.00 0.00 103 K 7.77 3.86 0.00 1.72 1.86 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.25 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.59 1.50 7.81 104 A 7.86 4.23 1.29 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 0.00 0.00 0.00 105 N 7.43 4.87 0.00 2.72 2.77 0.00 0.00 6.93 7.22 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 0.00 106 I 7.69 3.92 1.97 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 1.51 0.72 0.97 0.00 0.00