NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3728 8.3044 120.3452 55.0902 33.1058 175.4313 2 D 4.3470 8.3577 126.0408 53.3210 43.4388 174.8619 3 H 4.1300 8.9173 125.0533 59.1133 30.3532 177.0301 4 L 3.7986 8.0557 121.6677 57.9889 42.0455 178.3224 5 K 4.0036 8.3107 121.0210 59.0942 31.9700 177.7282 6 H 4.0044 8.2201 118.0789 59.4075 29.7389 176.9164 7 L 3.5700 7.5606 120.2866 58.0348 41.0550 179.7119 8 Q 4.0127 8.1762 117.7822 58.8864 28.4740 178.7516 9 Q 3.8752 8.1041 120.9059 58.9879 29.1883 178.2191 10 L 3.7707 7.7593 120.1904 57.6594 41.4075 179.2727 11 Q 4.0466 8.1059 119.5323 59.2798 29.1417 177.7765 12 N 4.2491 8.1724 118.0492 56.7924 39.0800 176.9280 13 I 3.4580 7.8741 121.4268 64.1709 37.0373 178.2950 14 E 4.1381 8.1313 119.3255 59.2406 29.1739 179.6765 15 R 3.7916 7.7661 118.1425 59.3989 30.2407 179.0061 16 I 3.3981 7.6732 119.3240 64.4329 37.1306 178.7535 17 V 3.7147 7.8583 118.6764 66.0420 31.4281 178.2036 18 L 4.1747 7.9301 118.8625 57.7905 40.8957 179.4087 19 S 4.2037 9.0471 114.5641 61.1828 62.2764 176.4787 20 G 3.6761 8.1800 108.6672 47.8326 0.0000 175.8435 21 I 3.8512 7.7967 121.9579 64.0991 36.8656 178.6672 22 V 3.8237 7.5564 118.0127 65.4713 31.4003 177.3947 23 L 4.4176 7.4872 118.4568 56.1458 43.3494 176.4281 24 A 4.6446 7.9579 121.5859 48.6584 18.6308 175.6059 25 N 4.8565 8.8438 121.1096 55.3269 38.9400 175.9088 26 H 4.4604 8.1837 115.9581 58.0203 28.9603 177.0166 27 K 5.0808 8.2397 122.1682 57.7687 31.7873 178.5630 28 I 3.9538 7.4591 118.9612 63.6002 37.6007 177.6305 29 E 4.0434 7.8273 118.7492 59.3115 29.6181 178.7155 30 E 4.1468 8.1365 118.0871 59.5258 29.7228 179.2966 31 V 3.6519 7.8765 118.2752 66.4499 31.6299 177.4207 32 H 5.1578 8.6057 118.6485 58.1078 29.5382 176.2300 33 S 4.5390 7.8231 112.9986 59.5005 62.3518 174.0516 34 V 4.4789 7.5914 115.6217 62.6282 33.5122 174.9081 35 L 4.9377 8.1841 119.2559 53.0827 45.0133 175.4583 36 E 5.0905 9.0783 121.7785 53.8335 32.4845 175.4367 37 P 4.6907 0.0000 0.0000 66.1199 31.4033 179.0793 38 S 4.2607 8.2931 110.2206 60.6188 62.7133 174.3958 39 D 4.6916 8.1170 119.4534 53.9579 40.9541 176.2150 40 F 4.5332 8.3095 119.4160 56.4435 40.1640 175.4097 41 Y 4.2494 10.1018 127.9065 60.7753 38.9460 175.5484 42 Y 4.2376 8.2679 124.3203 55.8771 38.8673 173.5882 43 P 4.1464 0.0000 0.0000 65.6051 31.3915 176.7383 44 P 4.0760 0.0000 0.0000 65.2719 31.0208 178.3472 45 N 4.4123 8.2961 115.9500 55.8029 38.3721 177.7486 46 G 3.3119 7.7199 106.8198 47.5505 0.0000 175.2468 47 L 3.9145 8.0568 123.3029 57.7596 41.9737 178.8904 48 F 3.9384 8.1295 120.4235 61.3822 39.3235 176.6900 49 F 4.1622 8.3590 120.4881 61.3213 38.9787 176.7534 50 E 3.7299 8.3215 118.9697 59.4481 29.4675 178.9355 51 I 3.6025 7.6708 119.5096 64.0489 37.0324 178.4540 52 A 3.7302 7.7450 121.7545 55.0197 17.9959 179.4701 53 L 3.6456 7.3804 116.4928 57.8268 41.8002 179.5185 54 K 4.0143 7.9081 119.2946 59.5235 32.1008 178.9598 55 L 3.9030 8.0986 119.5053 57.7920 41.3459 178.6840 56 H 4.2826 8.3373 117.7605 58.2856 29.6432 176.5648 57 E 4.1537 7.6733 119.0840 57.7453 29.4909 177.4982 58 E 4.4743 7.7485 116.3868 54.9442 30.2042 175.1141 59 D 4.2870 7.2555 117.2637 55.1837 39.1776 172.9207 60 C 4.2030 7.9393 118.8978 57.1947 32.4506 171.7659 61 P 4.2723 0.0000 0.0000 63.1187 31.4172 176.4832 62 I 4.3245 8.1617 122.2486 59.9708 36.9175 174.8782 63 D 5.0355 8.1922 124.9018 50.5465 43.8379 175.1730 64 E 3.4257 8.5983 118.5957 59.7860 29.3167 177.6293 65 N 4.0541 8.0727 116.1442 57.1188 38.8962 176.6057 66 F 4.3517 8.8222 119.3059 60.3291 38.3328 177.9779 67 I 3.7790 8.1200 120.0354 64.4041 36.6867 178.5031 68 R 4.2954 7.7160 117.8356 58.8622 30.0064 178.6865 69 Q 4.1860 7.7698 117.4553 58.2231 28.8408 177.2975 70 K 4.4089 8.1830 118.3510 55.5823 32.6448 176.1376 71 M 4.2492 7.3428 120.2431 54.6674 32.3853 175.8311 72 P 4.0597 0.0000 0.0000 64.1446 31.5121 176.4277 73 K 4.0850 7.8487 118.0143 56.8181 31.2726 174.4715 74 D 4.7975 7.9612 116.1294 52.7872 41.2986 176.0724 75 K 4.5905 7.8768 118.7050 54.2493 34.9692 174.4588 76 Q 4.4889 8.3246 124.7131 54.4630 32.3525 174.1810 77 I 4.2371 8.1151 122.6261 59.2312 37.6636 176.0398 78 K 3.8267 8.6897 124.9135 57.1143 32.6625 177.6812 79 E 4.0705 9.2274 123.3764 59.9473 29.2257 179.6166 80 E 4.0549 8.2091 116.7832 59.4823 29.5567 178.7187 81 D 4.4726 8.6841 120.0008 56.5616 40.8448 178.7305 82 L 4.0119 7.7393 119.4613 57.9795 42.0285 179.5330 83 V 3.9675 8.0593 111.9055 64.2288 31.2595 178.7092 84 A 3.9530 7.7744 120.8067 55.1608 18.0339 179.7926 85 I 3.4360 6.9036 116.9568 64.5799 37.2172 178.6157 86 F 4.3818 8.1041 117.2334 60.0860 38.7473 177.0599 87 A 4.2800 8.0242 119.2077 52.9340 19.0525 177.8289 88 A 4.0290 6.9782 119.9412 52.4571 18.9997 177.2699 89 S 4.4097 8.4516 117.2718 57.0925 63.4174 172.9232 90 P 4.2848 0.0000 0.0000 62.8613 31.5368 176.2135 91 I 4.3163 8.0675 123.2418 59.8937 39.4048 174.1319 92 D 4.6390 8.2307 120.8385 53.7527 42.0187 174.8404 93 N 3.9726 8.5856 124.9160 54.1844 36.5451 173.1804 94 I 4.0958 7.6416 116.2516 60.9774 38.3841 176.6447 95 E 3.8472 7.9969 120.0921 59.6818 29.1675 178.2598 96 A 4.0236 7.9419 119.5159 55.7312 18.5415 178.8361 97 Y 4.1818 8.1918 114.3374 61.5070 38.0084 179.0291 98 V 3.5070 7.9686 118.7894 66.2214 31.6461 177.7217 99 E 3.9802 8.3175 118.6277 58.7543 29.3882 178.4357 100 E 3.9071 8.3934 120.1860 59.2166 29.6559 178.6356 101 I 3.5350 8.2309 120.2188 64.1773 37.0890 178.3805 102 K 3.8481 8.0144 120.4010 59.4751 32.0336 178.6266 103 N 4.2844 8.2061 116.5765 56.3655 38.4777 177.2473 104 A 4.0450 8.0155 121.8838 54.5131 18.0263 179.7671 105 S 3.9733 7.6726 111.8866 61.7357 62.5153 176.3189 106 I 3.7293 7.8089 122.4896 64.2594 36.7054 178.5675 107 K 3.9737 8.0696 119.2569 59.7138 31.9423 179.6350 108 R 3.9813 8.0171 118.1837 59.2257 29.9848 179.3242 109 K 4.1103 8.1388 118.3908 59.0236 31.9997 179.5388 110 L 3.9837 8.0486 119.6450 57.8421 41.6655 179.2476 111 F 4.1461 8.7053 121.0776 61.0353 39.3636 177.4177 112 G 3.6009 8.4292 105.5078 47.8591 0.0000 175.5513 113 L 3.9836 7.9369 122.8713 57.4589 42.0141 178.8560 114 A 3.8962 7.8390 121.0043 55.2052 18.2785 179.4105 115 N 4.1879 7.8792 115.1548 56.4594 38.5137 177.8499 116 T 4.0502 7.8350 111.1344 64.6544 68.6610 176.9310 117 I 3.7050 7.4878 122.1527 64.0300 37.1549 178.3673 118 R 3.8974 7.6513 118.0917 59.1354 30.2105 178.5429 119 E 4.0667 8.3728 118.6740 58.8024 30.6137 177.4252 120 Q 4.4478 7.8670 120.9631 52.9633 27.3981 173.2710 121 A 4.2139 7.1905 126.9442 52.3781 23.0158 177.1327 122 H 4.6539 8.2977 111.5395 57.4084 28.9908 174.9877 123 H 4.5310 7.2118 122.6239 55.7747 28.1644 174.3710 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 4.37 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 2 D 8.36 4.35 0.00 2.90 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 0.00 0.00 0.00 0.00 3 H 8.92 4.13 0.00 3.25 3.28 0.00 5.92 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.06 3.80 0.00 1.79 1.97 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.31 4.00 0.00 1.84 1.97 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.31 7.81 6 H 8.22 4.00 0.00 3.29 3.40 0.00 5.85 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 7 L 7.56 3.57 0.00 1.85 1.71 0.84 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.18 4.01 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 9 Q 8.10 3.88 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 10 L 7.76 3.77 0.00 1.57 1.54 0.46 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.11 4.05 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 12 N 8.17 4.25 0.00 2.88 2.86 0.00 0.00 7.28 7.15 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 13 I 7.87 3.46 1.75 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.63 0.36 0.00 0.00 14 E 8.13 4.14 0.00 2.33 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.75 0.00 15 R 7.77 3.79 0.00 1.95 1.88 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 16 I 7.67 3.40 2.24 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.07 1.12 0.00 0.00 17 V 7.86 3.71 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.14 0.00 0.00 18 L 7.93 4.17 0.00 1.71 1.47 0.65 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 S 9.05 4.20 0.00 4.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.18 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 21 I 7.80 3.85 2.21 0.00 0.00 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 1.52 1.67 1.01 0.00 0.00 22 V 7.56 3.82 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.28 0.00 0.00 23 L 7.49 4.42 0.00 1.75 1.89 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.96 4.64 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.84 4.86 0.00 2.89 2.99 0.00 0.00 7.38 8.16 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 26 H 8.18 4.46 0.00 3.44 3.62 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.24 5.08 0.00 1.88 1.89 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.04 7.81 28 I 7.46 3.95 1.83 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.67 0.00 0.00 29 E 7.83 4.04 0.00 2.06 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 2.42 2.42 0.00 30 E 8.14 4.15 0.00 2.24 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 2.45 2.48 0.00 31 V 7.88 3.65 2.33 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 1.01 0.00 0.00 1.12 0.00 0.00 32 H 8.61 5.16 0.00 3.58 3.53 0.00 5.70 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.82 4.54 0.00 4.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.59 4.48 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 0.83 0.00 0.00 0.94 0.00 0.00 35 L 8.18 4.94 0.00 1.66 1.23 0.55 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.08 5.09 0.00 2.20 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 2.48 0.00 37 P 0.00 4.69 0.00 2.30 2.46 0.00 3.78 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 38 S 8.29 4.26 0.00 4.04 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 39 D 8.12 4.69 0.00 2.73 2.58 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 40 F 8.31 4.53 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 10.10 4.25 0.00 2.75 3.33 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 42 Y 8.27 4.24 0.00 2.87 2.84 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 0.00 0.00 0.00 43 P 0.00 4.15 0.00 1.92 2.00 0.00 3.17 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 1.97 2.12 0.00 44 P 0.00 4.08 0.00 1.80 1.94 0.00 2.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.78 0.00 45 N 8.30 4.41 0.00 2.99 2.70 0.00 0.00 6.74 7.10 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 46 G 7.72 3.31 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 0.00 47 L 8.06 3.91 0.00 1.71 1.84 0.92 1.11 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 48 F 8.13 3.94 0.00 3.24 3.08 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 49 F 8.36 4.16 0.00 2.69 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 50 E 8.32 3.73 0.00 2.22 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 2.25 2.32 0.00 51 I 7.67 3.60 1.59 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 1.38 0.57 0.83 0.00 0.00 52 A 7.74 3.73 1.09 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 53 L 7.38 3.65 0.00 1.49 1.49 0.51 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.91 4.01 0.00 1.75 1.87 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.51 7.81 55 L 8.10 3.90 0.00 1.79 1.78 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.34 4.28 0.00 3.23 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.67 4.15 0.00 2.06 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 2.43 2.46 0.00 58 E 7.75 4.47 0.00 1.82 1.86 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 2.16 2.30 0.00 59 D 7.26 4.29 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 7.94 4.20 0.00 2.63 2.69 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 61 P 0.00 4.27 0.00 2.34 2.05 0.00 3.03 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 62 I 8.16 4.32 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 1.43 0.57 0.97 0.00 0.00 63 D 8.19 5.04 0.00 2.94 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 64 E 8.60 3.43 0.00 1.58 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 65 N 8.07 4.05 0.00 2.59 2.56 0.00 0.00 7.16 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.82 4.35 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.12 3.78 2.23 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.36 0.98 0.00 0.00 68 R 7.72 4.30 0.00 1.84 2.00 0.00 3.16 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 69 Q 7.77 4.19 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 70 K 8.18 4.41 0.00 1.84 1.78 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.49 7.81 71 M 7.34 4.25 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.49 0.00 72 P 0.00 4.06 0.00 2.52 2.33 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.99 0.00 73 K 7.85 4.08 0.00 1.99 1.84 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.37 1.50 7.81 74 D 7.96 4.80 0.00 2.72 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 75 K 7.88 4.59 0.00 1.65 1.66 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.42 7.81 76 Q 8.32 4.49 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 77 I 8.12 4.24 1.95 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 1.42 0.75 0.97 0.00 0.00 78 K 8.69 3.83 0.00 2.02 1.95 0.00 1.74 0.00 0.00 2.00 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.51 7.81 79 E 9.23 4.07 0.00 2.00 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 2.45 2.38 0.00 80 E 8.21 4.05 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 81 D 8.68 4.47 0.00 2.90 2.86 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 82 L 7.74 4.01 0.00 2.03 2.05 1.16 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.06 3.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.03 0.00 0.00 84 A 7.77 3.95 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 85 I 6.90 3.44 1.21 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.38 -0.09 0.00 0.00 86 F 8.10 4.38 0.00 3.02 3.08 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 87 A 8.02 4.28 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 88 A 6.98 4.03 1.26 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 0.00 0.00 89 S 8.45 4.41 0.00 3.90 3.84 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 0.00 0.00 0.00 90 P 0.00 4.28 0.00 2.06 2.02 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 91 I 8.07 4.32 1.77 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 1.31 0.35 0.64 0.00 0.00 92 D 8.23 4.64 0.00 2.61 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 93 N 8.59 3.97 0.00 2.78 2.75 0.00 0.00 7.09 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 94 I 7.64 4.10 1.91 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 0.57 0.86 0.00 0.00 95 E 8.00 3.85 0.00 2.17 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 2.32 2.35 0.00 96 A 7.94 4.02 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 97 Y 8.19 4.18 0.00 3.20 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 98 V 7.97 3.51 2.24 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 0.96 0.00 0.00 1.05 0.00 0.00 99 E 8.32 3.98 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 100 E 8.39 3.91 0.00 2.19 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 2.20 2.30 0.00 101 I 8.23 3.53 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.17 0.33 0.00 0.00 102 K 8.01 3.85 0.00 1.89 1.89 0.00 1.47 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.49 7.81 103 N 8.21 4.28 0.00 3.00 2.82 0.00 0.00 6.94 6.85 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 0.00 104 A 8.02 4.05 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 0.00 105 S 7.67 3.97 0.00 4.06 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 0.00 106 I 7.81 3.73 2.01 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 1.52 0.63 0.91 0.00 0.00 107 K 8.07 3.97 0.00 1.95 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.71 7.81 108 R 8.02 3.98 0.00 2.07 2.04 0.00 3.21 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 109 K 8.14 4.11 0.00 2.02 1.88 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.76 7.81 110 L 8.05 3.98 0.00 1.95 1.76 0.94 0.79 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 0.00 111 F 8.71 4.15 0.00 3.24 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 0.00 112 G 8.43 3.60 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 0.00 0.00 0.00 113 L 7.94 3.98 0.00 1.87 1.89 0.91 1.15 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 0.00 114 A 7.84 3.90 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 0.00 115 N 7.88 4.19 0.00 2.82 2.97 0.00 0.00 6.80 7.04 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 0.00 116 T 7.83 4.05 4.22 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 1.29 0.00 0.00 117 I 7.49 3.71 2.01 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 1.48 0.64 0.86 0.00 0.00 118 R 7.65 3.90 0.00 1.80 1.83 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 119 E 8.37 4.07 0.00 2.01 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 2.31 2.27 0.00 120 Q 7.87 4.45 0.00 1.94 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 121 A 7.19 4.21 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.30 4.65 0.00 3.08 3.26 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 H 7.21 4.53 0.00 3.24 3.48 0.00 5.73 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