NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4570 8.3044 118.1940 55.1545 32.5667 174.2689 1 V 4.2579 7.8966 118.4890 60.7583 34.4914 173.3929 2 L 4.4210 8.3014 127.1715 53.6695 43.8865 176.7773 3 S 4.5302 8.4410 117.1380 57.7333 65.3894 175.1545 4 E 4.2977 8.8197 122.6747 59.5449 29.5042 179.0967 5 G 3.7724 8.1153 105.3163 47.6957 0.0000 175.4723 6 E 3.8957 7.9456 120.3093 59.0230 29.4727 179.2768 7 W 4.3767 8.0459 118.9474 60.0453 29.1508 178.4478 8 Q 4.1507 8.8588 118.1886 59.0842 28.1819 179.0363 9 L 4.0640 7.9032 119.5482 57.8413 41.6872 179.6189 10 V 3.7043 7.8795 118.0245 66.3320 31.6082 178.2121 11 L 4.2837 8.7080 118.8654 57.5120 41.0982 179.1995 12 H 4.2226 8.4880 118.7831 59.4426 29.9463 177.5464 13 V 3.7478 7.8317 119.6085 65.6112 31.2333 177.7405 14 W 3.9811 8.5655 128.1358 60.1815 30.2506 177.6120 15 A 3.9704 8.0405 120.1966 55.0886 17.9906 179.5936 16 K 3.9194 7.2675 117.0832 59.4752 32.2210 179.4312 17 V 2.8263 7.1437 118.4451 66.0369 30.9745 177.6803 18 E 3.8771 7.6881 115.7514 58.1754 29.2602 178.6092 19 A 4.2115 7.5267 120.7663 53.8611 19.8629 177.5607 20 D 4.6503 7.8412 116.6790 51.9829 42.4026 175.5249 21 V 3.4533 7.9253 122.9268 65.4171 32.0599 176.7734 22 A 4.0624 7.9881 120.1744 55.0225 18.3108 179.4869 23 G 3.8140 8.1683 105.0197 47.9039 0.0000 175.4599 24 H 4.2205 8.2922 119.3821 58.0218 28.5621 178.1348 25 G 3.7065 8.5285 108.1378 47.8438 0.0000 175.4195 26 Q 3.9473 8.0396 122.3363 58.9994 29.1538 178.0604 27 D 4.2940 7.9945 119.8004 57.3363 40.7535 178.8780 28 I 3.5477 7.7844 120.1553 64.5210 37.0687 178.5795 29 F 3.2268 8.1554 118.5496 60.2426 38.5394 177.8644 30 I 3.7216 7.9709 119.7874 64.1441 36.7650 178.4308 31 R 3.7540 7.9151 119.5239 59.2808 29.8760 178.1449 32 L 3.8620 7.8496 120.3921 58.4609 41.8900 179.1010 33 F 4.6279 8.2223 117.8281 60.2781 38.5841 178.1194 34 K 4.0172 8.1589 117.8204 59.7646 32.0458 179.3905 35 S 4.2749 8.1199 114.1541 60.3666 64.2141 174.6087 36 H 4.7679 8.2339 118.2924 52.0343 29.2346 171.8618 37 P 4.6020 0.0000 0.0000 64.6121 31.4921 177.6575 38 E 4.1142 8.2288 116.1508 59.3314 29.5216 179.0850 39 T 3.8571 8.2094 111.4594 64.3892 68.8943 176.2999 40 L 3.6965 7.9014 123.3784 58.0363 41.6891 178.7981 41 E 4.1156 7.9630 117.3414 59.0101 29.4319 178.9258 42 K 4.3843 8.1791 117.2290 57.2505 33.1127 177.8868 43 F 4.5887 8.0783 119.4096 55.2806 38.3071 175.2937 44 D 4.3912 8.4817 123.2660 57.5690 40.8917 178.1356 45 R 3.7984 7.7717 117.4695 58.3064 30.2343 176.7888 46 F 5.0185 7.4505 114.5216 56.8100 40.2380 177.1921 47 K 3.8704 8.2283 120.7589 59.6099 31.9050 177.6721 48 H 4.3905 8.2258 112.2901 56.9768 28.9297 175.2963 49 L 4.1783 7.7834 122.0121 54.7134 41.5545 176.6763 50 K 4.3146 9.3909 124.2007 57.1195 33.5301 176.8078 51 T 4.7305 7.3134 107.6516 59.0025 73.1787 174.2516 52 E 3.9718 8.6114 120.3151 59.0568 29.6895 178.3509 53 A 3.9896 7.9617 120.6607 55.2842 18.2952 179.3332 54 E 3.9815 7.9754 115.9225 59.5618 29.8294 179.2305 55 M 4.1773 8.1102 118.9218 58.4299 31.8616 179.0138 56 K 4.0374 8.3362 117.3685 58.6460 32.2797 178.3236 57 A 4.5486 7.4729 118.2596 51.2036 19.4039 176.8699 58 S 4.3429 7.4361 113.6692 57.1423 62.5987 174.4837 59 E 4.0211 8.7545 129.3868 59.0227 29.4874 177.9814 60 D 4.3877 8.0703 118.0992 57.2607 41.4251 177.7885 61 L 3.1953 7.9730 120.9137 57.5153 41.8345 178.7623 62 K 3.8998 7.9110 119.6693 59.3512 32.1551 179.0153 63 K 4.0150 8.2545 118.9943 59.6302 31.8844 178.8628 64 H 4.3953 8.2185 118.6880 58.9949 29.7305 177.6123 65 G 3.6197 8.0100 107.8015 47.5765 0.0000 175.9787 66 V 3.7193 7.6205 120.7511 65.9850 31.5501 178.3673 67 T 3.8855 7.7998 115.1488 66.5007 68.3270 176.8048 68 V 3.6771 7.9935 120.2441 66.2719 31.6417 178.1898 69 L 4.2958 8.5061 119.0858 57.8871 41.4226 179.6780 70 T 3.9532 8.3504 115.8755 66.6667 68.4991 176.4549 71 A 4.0240 8.1127 122.5854 55.1883 18.3360 179.4955 72 L 3.7988 8.1400 119.0284 57.8617 42.1078 179.3235 73 G 3.2836 8.5604 106.0216 47.7514 0.0000 175.5653 74 A 4.0171 7.7940 122.1741 54.6592 18.6798 179.6382 75 I 3.8163 7.4001 117.9777 64.5811 37.2591 178.6156 76 L 4.0233 7.8463 120.0761 57.6717 41.1381 179.7061 77 K 3.9354 7.7984 117.2917 58.6932 32.2321 178.8487 78 K 3.9482 7.9102 117.9144 56.2720 32.5202 176.6480 79 K 2.0000 8.2299 118.5260 56.3755 29.7976 175.6781 80 G 3.9534 7.9371 105.5828 45.6193 0.0000 173.8373 81 H 4.9197 7.5662 118.4158 54.2099 27.3768 174.4625 82 H 5.2561 7.2570 111.4761 53.8121 29.7991 176.1705 83 E 4.0085 8.5226 122.2019 60.2599 28.8953 179.0640 84 A 4.0306 7.8753 119.0308 55.3350 17.7584 179.1742 85 E 4.0778 8.1847 116.5764 59.3326 29.5180 179.1990 86 L 4.3402 8.1771 120.6502 57.6297 42.1050 178.8083 87 K 3.9010 7.8403 119.1065 59.1384 32.1159 177.3471 88 P 4.2903 0.0000 0.0000 65.9020 31.2037 178.1246 89 L 4.0740 7.6028 120.2228 57.6499 41.9178 178.8163 90 A 4.1797 8.5865 121.3225 55.1387 18.3113 179.2462 91 Q 3.9029 8.2626 118.3586 59.4922 29.0743 178.9020 92 S 4.0232 8.2121 115.1671 61.8479 63.0716 176.1376 93 H 4.1677 8.7684 119.7337 57.9904 28.1645 177.7008 94 A 2.7029 7.8907 122.2544 54.5170 18.5690 178.8303 95 T 3.9060 7.5652 109.4311 62.8447 67.8337 175.3352 96 K 4.1187 7.4843 120.0757 58.3576 33.0981 176.9123 97 H 4.3360 7.9689 114.7067 55.9161 29.5097 175.4990 98 K 3.2959 7.4656 117.3991 56.8991 28.5022 174.1177 99 I 4.3643 8.0674 118.9319 58.4937 38.7394 174.8274 100 P 4.4343 0.0000 0.0000 62.3669 32.0574 177.3776 101 I 3.6959 8.4351 121.3884 64.5930 36.9021 178.6320 102 K 3.6541 7.9375 119.8931 59.7669 31.9011 178.2402 103 Y 4.1772 7.9732 116.8372 60.7456 37.7261 178.1699 104 L 4.1920 7.9271 119.8190 57.6175 41.7827 179.0534 105 E 3.9916 8.1933 118.7803 59.3789 29.3963 179.2990 106 F 4.5113 7.8106 117.7930 60.8668 38.9283 177.6572 107 I 3.7677 8.1684 117.9807 63.7245 37.7059 178.0823 108 S 4.1448 8.0800 116.5259 61.6357 62.6885 176.1872 109 E 4.0104 8.4442 121.7114 59.1702 29.3494 178.7393 110 A 3.9826 8.1446 120.9725 55.1486 18.3468 179.7137 111 I 3.6782 8.0335 118.5503 64.5303 37.0839 178.7557 112 I 3.8355 8.0138 120.7546 64.5352 36.8909 177.8959 113 H 4.1325 8.4191 119.1305 59.3970 29.6380 177.5544 114 V 3.5286 7.9113 119.9418 65.9408 31.2863 178.0037 115 L 3.7635 7.9572 118.9965 57.7141 41.0372 178.9133 116 H 4.3096 8.0513 117.5803 59.3935 29.9208 177.0607 117 S 4.1708 7.8223 115.5461 61.8675 62.8414 176.7158 118 R 4.0756 7.9208 118.4761 57.5099 31.1479 176.3875 119 H 5.0200 8.2530 116.1993 53.9368 29.8011 173.0953 120 P 4.3290 0.0000 0.0000 65.8108 31.7209 179.2906 121 G 3.6646 8.1839 106.8399 47.6469 0.0000 173.6887 122 N 5.0347 8.1829 114.9092 52.8655 39.4951 175.0241 123 F 4.9595 7.8915 118.9066 56.2326 39.5466 173.9919 124 G 3.9330 7.7503 109.2481 43.5820 0.0000 172.2190 125 A 3.8852 8.4524 120.7424 55.5945 18.1415 179.6497 126 D 4.1987 7.9785 116.3897 57.3786 40.8624 178.7412 127 A 3.9324 7.7577 120.9044 55.0244 18.3521 179.3326 128 Q 3.0989 7.9140 118.6267 58.7634 28.9683 178.5552 129 G 3.4810 8.0912 106.7724 47.5824 0.0000 175.6099 130 A 3.8330 7.9963 123.2097 55.1253 18.3527 179.4577 131 M 4.0110 8.2478 117.0313 58.7023 32.2263 177.9647 132 N 4.3342 8.5086 117.7213 56.6470 39.0582 177.1134 133 K 3.9054 8.2449 119.7289 59.0091 32.0439 179.3363 134 A 3.7469 7.8357 121.3862 55.1132 18.2584 179.7027 135 L 4.1641 8.3364 117.7598 57.6213 41.5981 179.5574 136 E 3.9692 8.5201 119.2709 59.0836 29.2738 178.9455 137 L 3.9387 8.2568 120.7750 58.0698 42.1552 178.6248 138 F 4.1478 8.2822 120.4780 61.5711 39.2303 177.2222 139 R 3.4737 8.1913 117.5690 59.0393 29.8546 179.0686 140 K 3.8346 8.2816 119.6915 59.6093 32.3314 178.7008 141 D 4.3345 8.3032 119.5117 57.2552 40.6627 178.8588 142 I 3.4625 7.5453 120.3441 64.0531 36.9700 178.3181 143 A 3.6635 7.9505 121.7492 54.8799 18.2641 179.5848 144 A 3.9672 7.8837 119.4226 55.0937 18.4223 180.0977 145 K 4.1585 7.9094 116.7446 59.6718 32.0597 178.9128 146 Y 4.4979 8.3809 117.6125 61.3098 37.7842 178.8946 147 K 3.9613 8.1563 120.1650 59.7471 32.1268 178.7360 148 E 4.0783 8.0017 116.9644 58.8168 29.4319 178.4878 149 L 4.4158 7.9030 117.2745 54.9508 42.0315 177.5445 150 G 3.9995 7.9218 106.9094 45.6195 0.0000 173.2573 151 Y 4.2296 7.9011 121.1378 59.0794 40.4486 177.1992 152 Q 3.0343 7.3098 116.5312 57.3290 27.1466 175.0227 153 G 3.3636 7.9538 116.5924 46.3615 0.0000 171.7554 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 0 M 8.30 4.46 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 1 V 7.90 4.26 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.30 4.42 0.00 0.96 0.69 0.56 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.44 4.53 0.00 4.08 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 4 E 8.82 4.30 0.00 2.20 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 2.51 0.00 5 G 8.12 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 6 E 7.95 3.90 0.00 1.95 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 2.20 2.25 0.00 7 W 8.05 4.38 0.00 3.59 3.17 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 8 Q 8.86 4.15 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.72 0.00 9 L 7.90 4.06 0.00 1.89 1.75 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.88 3.70 2.42 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 1.17 0.00 0.00 0.93 0.00 0.00 11 L 8.71 4.28 0.00 1.83 1.82 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.49 4.22 0.00 3.45 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.83 3.75 2.29 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 0.95 0.00 0.00 1.32 0.00 0.00 14 W 8.57 3.98 0.00 3.66 3.14 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 15 A 8.04 3.97 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 16 K 7.27 3.92 0.00 1.59 1.65 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.72 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.43 7.81 17 V 7.14 2.83 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 0.00 0.00 -0.03 0.00 0.00 0.42 0.00 0.00 18 E 7.69 3.88 0.00 1.98 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 2.22 2.09 0.00 19 A 7.53 4.21 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 20 D 7.84 4.65 0.00 2.70 2.52 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 21 V 7.93 3.45 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 1.01 0.00 0.00 0.89 0.00 0.00 22 A 7.99 4.06 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 23 G 8.17 3.81 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 0.00 0.00 0.00 24 H 8.29 4.22 0.00 3.11 3.23 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.53 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 26 Q 8.04 3.95 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 27 D 7.99 4.29 0.00 2.80 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 28 I 7.78 3.55 1.86 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 1.44 0.69 0.54 0.00 0.00 29 F 8.16 3.23 0.00 3.02 2.55 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 30 I 7.97 3.72 1.89 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 1.43 0.73 0.90 0.00 0.00 31 R 7.92 3.75 0.00 1.93 2.03 0.00 2.99 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 32 L 7.85 3.86 0.00 1.49 1.26 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.22 4.63 0.00 3.05 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 34 K 8.16 4.02 0.00 1.75 1.84 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.70 7.81 35 S 8.12 4.27 0.00 3.72 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 36 H 8.23 4.77 0.00 3.00 2.72 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.60 0.00 2.16 2.12 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.30 0.00 38 E 8.23 4.11 0.00 2.30 2.30 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 2.34 2.57 0.00 39 T 8.21 3.86 4.48 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 0.85 0.00 0.00 40 L 7.90 3.70 0.00 1.11 1.77 0.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.96 4.12 0.00 2.23 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 2.39 2.41 0.00 42 K 8.18 4.38 0.00 1.99 1.76 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.76 2.00 7.81 43 F 8.08 4.59 0.00 3.19 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 44 D 8.48 4.39 0.00 2.56 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 45 R 7.77 3.80 0.00 1.39 0.76 0.00 3.02 0.00 0.00 2.88 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.41 0.00 46 F 7.45 5.02 0.00 2.92 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 47 K 8.23 3.87 0.00 1.76 1.91 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.76 7.81 48 H 8.23 4.39 0.00 3.29 3.40 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.78 4.18 0.00 1.56 1.58 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.39 4.31 0.00 1.77 1.84 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.55 7.81 51 T 7.31 4.73 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 52 E 8.61 3.97 0.00 2.06 1.98 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 2.37 2.37 0.00 53 A 7.96 3.99 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 54 E 7.98 3.98 0.00 2.08 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 0.00 2.34 2.34 0.00 55 M 8.11 4.18 0.00 2.09 2.34 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 2.78 2.61 0.00 56 K 8.34 4.04 0.00 1.82 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.57 7.81 57 A 7.47 4.55 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 58 S 7.44 4.34 0.00 3.89 3.86 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 59 E 8.75 4.02 0.00 2.13 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 2.38 2.43 0.00 60 D 8.07 4.39 0.00 2.97 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 61 L 7.97 3.20 0.00 1.06 1.48 -0.24 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.91 3.90 0.00 1.85 1.93 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 K 8.25 4.02 0.00 2.08 1.89 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.78 7.81 64 H 8.22 4.40 0.00 3.45 3.24 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.01 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.62 3.72 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 1.12 0.00 0.00 0.97 0.00 0.00 67 T 7.80 3.89 4.44 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 1.28 0.00 0.00 68 V 7.99 3.68 2.47 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 1.26 0.00 0.00 1.10 0.00 0.00 69 L 8.51 4.30 0.00 1.86 1.85 0.91 0.84 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 70 T 8.35 3.95 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 1.26 0.00 0.00 71 A 8.11 4.02 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 72 L 8.14 3.80 0.00 1.64 1.75 0.25 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.56 3.28 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 0.00 74 A 7.79 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 75 I 7.40 3.82 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.92 0.00 0.00 76 L 7.85 4.02 0.00 1.31 1.50 -0.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.80 3.94 0.00 1.65 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.55 7.81 78 K 7.91 3.95 0.00 1.89 1.83 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.65 1.75 7.81 79 K 8.23 2.00 0.00 1.21 0.74 0.00 1.45 0.00 0.00 1.43 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.81 7.81 80 G 7.94 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 81 H 7.57 4.92 0.00 3.21 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.26 5.26 0.00 3.29 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.52 4.01 0.00 2.10 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 0.00 2.42 2.48 0.00 84 A 7.88 4.03 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 85 E 8.18 4.08 0.00 2.26 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 2.41 2.45 0.00 86 L 8.18 4.34 0.00 2.02 1.67 0.96 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.84 3.90 0.00 1.99 1.89 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.62 7.81 88 P 0.00 4.29 0.00 2.31 2.34 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 89 L 7.60 4.07 0.00 2.14 1.90 1.13 0.93 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 90 A 8.59 4.18 1.48 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 0.00 0.00 91 Q 8.26 3.90 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.21 4.02 0.00 4.02 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 93 H 8.77 4.17 0.00 3.59 3.61 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.89 2.70 0.82 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 95 T 7.57 3.91 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 1.12 0.00 0.00 96 K 7.48 4.12 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.23 1.28 7.81 97 H 7.97 4.34 0.00 3.02 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.47 3.30 0.00 1.77 1.76 0.00 1.42 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.21 1.27 7.81 99 I 8.07 4.36 2.12 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 1.55 0.97 1.18 0.00 0.00 100 P 0.00 4.43 0.00 1.94 1.98 0.00 3.26 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 0.81 1.51 0.00 101 I 8.44 3.70 1.80 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.80 0.81 0.00 0.00 102 K 7.94 3.65 0.00 1.71 1.64 0.00 1.12 0.00 0.00 1.55 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 0.69 7.81 103 Y 7.97 4.18 0.00 3.30 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 0.00 104 L 7.93 4.19 0.00 1.81 1.85 0.81 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.19 3.99 0.00 2.01 1.98 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 2.31 2.43 0.00 106 F 7.81 4.51 0.00 3.13 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 0.00 107 I 8.17 3.77 1.92 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.28 1.04 0.00 0.00 108 S 8.08 4.14 0.00 4.16 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 0.00 109 E 8.44 4.01 0.00 2.16 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 0.00 2.36 2.40 0.00 110 A 8.14 3.98 1.30 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 0.00 0.00 0.00 111 I 8.03 3.68 2.09 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 1.55 0.68 1.02 0.00 0.00 112 I 8.01 3.84 2.11 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 1.69 0.95 1.12 0.00 0.00 113 H 8.42 4.13 0.00 3.27 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.91 3.53 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 0.99 0.00 0.00 0.97 0.00 0.00 115 L 7.96 3.76 0.00 0.43 0.54 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.05 4.31 0.00 3.45 3.56 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.82 4.17 0.00 3.99 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 0.00 118 R 7.92 4.08 0.00 1.53 1.57 0.00 3.08 0.00 0.00 2.90 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 119 H 8.25 5.02 0.00 3.15 3.16 0.00 5.63 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 0.00 120 P 0.00 4.33 0.00 2.21 2.26 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.18 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 0.00 122 N 8.18 5.03 0.00 2.78 2.90 0.00 0.00 6.69 6.75 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 0.00 123 F 7.89 4.96 0.00 2.86 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 0.00 124 G 7.75 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 0.00 125 A 8.45 3.89 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 0.00 126 D 7.98 4.20 0.00 2.65 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 0.00 127 A 7.76 3.93 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.91 3.10 0.00 1.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 129 G 8.09 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 0.00 0.00 0.00 130 A 8.00 3.83 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 0.00 131 M 8.25 4.01 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.94 0.00 132 N 8.51 4.33 0.00 2.85 2.88 0.00 0.00 7.20 7.32 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 0.00 133 K 8.24 3.91 0.00 1.85 1.65 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.36 7.81 134 A 7.84 3.75 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 0.00 135 L 8.34 4.16 0.00 1.85 1.81 0.98 0.75 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 0.00 136 E 8.52 3.97 0.00 2.25 1.98 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 2.33 2.56 0.00 137 L 8.26 3.94 0.00 1.81 1.96 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.28 4.15 0.00 3.13 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 0.00 139 R 8.19 3.47 0.00 1.95 1.84 0.00 3.16 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.99 0.00 140 K 8.28 3.83 0.00 1.75 1.98 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 141 D 8.30 4.33 0.00 2.74 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 0.00 142 I 7.55 3.46 1.22 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 0.84 -0.36 0.10 0.00 0.00 143 A 7.95 3.66 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 0.00 144 A 7.88 3.97 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 0.00 145 K 7.91 4.16 0.00 2.07 1.93 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.66 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.54 7.81 146 Y 8.38 4.50 0.00 3.12 3.19 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 0.00 147 K 8.16 3.96 0.00 1.86 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 8.00 4.08 0.00 2.22 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 2.56 0.00 149 L 7.90 4.42 0.00 1.82 1.72 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.92 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 0.00 0.00 0.00 151 Y 7.90 4.23 0.00 2.49 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 0.00 152 Q 7.31 3.03 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 153 G 7.95 3.36 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 0.00