NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4972 8.3049 120.2590 55.1517 33.5068 174.5156 2 K 4.2168 8.4489 121.6715 52.4179 34.5221 173.8980 3 K 4.7815 8.4689 120.0724 55.0755 35.3452 175.4834 4 G 3.7293 8.3884 114.4193 43.3844 0.0000 172.0907 5 R 3.8229 7.8610 120.8580 57.6661 28.7598 176.7688 6 G 4.0703 10.3554 112.6749 45.0047 0.0000 170.6366 7 Y 4.8732 6.9709 114.6142 55.6589 40.8800 173.3542 8 V 5.1260 8.3020 120.7876 61.6448 34.5325 173.9851 9 Y 4.9817 8.6596 123.4594 56.2613 41.8160 173.7568 10 K 4.6867 8.5121 122.0311 55.5358 35.1048 175.0477 11 L 4.6605 8.7227 127.2642 53.0049 45.1943 175.4010 12 E 5.0116 8.4694 122.6608 54.5509 33.1961 174.9311 13 Y 5.0719 8.8384 120.8020 56.4931 41.8759 174.4988 14 H 5.0207 9.4182 122.1989 55.5659 30.4629 174.1830 15 L 5.3073 9.5429 125.0839 53.4727 45.3648 175.0828 16 I 5.6065 9.3219 126.6900 58.3917 41.2199 174.4399 17 W 5.6558 8.1943 120.7465 55.6319 31.4656 173.1473 18 A 5.5140 8.8830 122.6771 50.3070 21.5893 176.2702 19 T 4.9519 9.0725 110.0067 61.3676 70.7439 174.1321 20 K 3.9341 9.4521 123.2510 57.5847 33.1405 177.2891 21 Y 3.8508 8.7796 120.2930 58.3242 35.5722 170.1384 22 R 4.0824 8.1904 115.5842 55.8239 28.4306 176.1976 23 H 3.9496 8.3353 116.7428 56.7440 30.5267 176.1334 24 Q 4.3564 8.1507 127.9456 54.7984 27.0676 175.7440 25 V 3.9364 7.2003 110.5490 61.5810 33.6878 177.5285 26 L 4.3215 7.7427 122.6992 53.1420 40.1390 175.8088 27 V 4.5158 6.7667 113.6759 60.1678 37.0412 177.4135 28 D 4.1298 8.2541 122.2355 55.3155 40.0167 177.8443 29 E 4.1106 8.7052 126.2262 60.0518 29.9264 179.2969 30 V 2.4030 7.7263 119.3052 65.4830 31.4952 177.7393 31 A 3.9401 7.6408 120.0017 55.3312 18.1157 179.1369 32 D 4.4192 8.4037 117.6738 57.4820 40.8049 179.3385 33 G 3.8086 8.6678 106.7093 47.7527 0.0000 175.4860 34 L 4.1050 8.2775 122.9158 57.8606 42.0316 179.2334 35 K 3.9893 8.0840 118.3685 59.5314 31.9985 179.0398 36 D 4.3585 7.9255 119.1380 57.4054 40.6960 178.8008 37 I 3.7413 8.0642 120.4692 64.5686 37.0881 178.5016 38 L 4.0711 8.5172 120.0196 57.7966 41.4205 179.7004 39 R 3.9220 8.2280 118.1203 59.4218 29.9562 178.8115 40 D 4.3443 8.1185 118.4162 57.5856 40.9604 179.0368 41 I 3.9645 8.3546 121.5818 63.5743 36.9778 178.2203 42 A 3.9443 8.2711 121.9213 55.5958 18.2693 179.6262 43 T 3.8048 7.7913 113.9488 67.1552 68.7062 176.8977 44 Q 4.1634 8.5089 119.3863 57.9197 28.3534 177.4297 45 N 4.9925 7.6713 115.9149 52.3191 38.9949 175.0154 46 G 3.9338 7.9353 107.4871 46.4693 0.0000 173.8800 47 L 4.6897 7.9113 118.5931 52.6310 44.4400 175.5879 48 E 4.3863 8.6434 122.6566 54.6868 31.3559 174.8627 49 L 4.5296 8.4836 130.0432 54.2671 41.2384 176.1607 50 V 3.8606 8.7910 127.1832 65.5439 32.1844 175.7202 51 A 4.7154 7.6424 119.3860 50.8765 22.6942 174.7807 52 L 5.0966 8.1879 120.5271 53.4857 45.4837 174.9683 53 E 4.6542 9.3786 123.6300 54.3966 32.9937 174.5607 54 V 4.4105 8.2854 122.3681 61.5142 33.1007 174.9064 55 M 4.3145 8.5953 128.1187 52.8350 33.8909 175.4940 56 P 4.5831 0.0000 0.0000 64.5738 31.6437 177.5173 57 D 5.3486 7.8752 114.8064 52.8399 41.0487 174.8185 58 Y 5.1952 7.6064 116.0539 56.7613 41.9495 173.5026 59 V 4.5486 8.4974 113.2519 59.6384 35.5830 174.6969 60 H 5.0066 9.0098 123.3240 54.7158 32.7784 171.9492 61 L 5.0379 9.2185 126.4111 52.9183 44.6436 175.3998 62 L 5.1061 8.9250 124.5014 53.3556 44.5798 174.9017 63 L 5.0938 9.0252 126.8593 52.8758 44.7544 175.7029 64 G 4.3157 9.0848 111.5457 45.0270 0.0000 172.5810 65 A 5.2630 8.7327 125.6324 50.3621 23.0758 175.1101 66 T 3.9235 8.3266 108.2775 59.1508 70.9208 174.0952 67 P 4.1537 0.0000 0.0000 65.8183 31.2986 177.9144 68 Q 4.1026 7.2053 114.6729 57.4169 28.9983 176.1214 69 H 4.3746 7.9008 116.5024 55.4860 29.4610 175.3400 70 V 4.2261 8.3218 123.0385 60.9338 33.1897 175.9915 71 I 2.0000 7.9842 127.4262 63.8043 37.0087 176.4830 72 P 3.9781 0.0000 0.0000 65.3439 30.9794 178.5827 73 D 4.2330 7.6523 117.6116 57.3400 40.8696 178.5770 74 F 4.2945 7.7677 115.1140 59.4775 37.8439 177.7145 75 V 3.2748 7.4749 119.3981 65.8191 31.1274 178.0705 76 K 3.7358 7.8241 117.8169 59.2373 31.7676 179.1100 77 A 3.9557 8.0828 120.9910 55.2094 18.3505 179.7218 78 L 3.9374 8.0631 117.6292 57.8713 41.7484 180.0662 79 K 3.2206 7.8976 118.8034 58.9724 31.9379 179.7935 80 G 3.5735 8.1450 105.8787 47.9556 0.0000 175.7333 81 A 4.1312 8.3027 124.4988 54.4711 18.3561 179.8502 82 S 4.2002 8.3040 112.8570 61.5582 63.0078 176.6796 83 A 3.4930 8.4149 124.3950 54.7786 18.2917 179.7577 84 R 4.0220 8.0232 116.5357 59.7528 30.1523 179.6600 85 R 4.0621 8.3902 117.8888 59.2142 30.0078 179.0337 86 M 4.1838 8.1821 118.8699 58.2821 31.7920 178.6838 87 F 4.6061 8.1594 118.2746 60.5429 38.7909 177.7495 88 S 4.1713 7.9421 111.5538 61.4365 62.3559 175.8341 89 A 3.9758 7.9412 122.2760 53.5990 19.4594 177.6798 90 F 4.9440 8.3664 116.0090 54.6784 39.8139 173.4646 91 P 4.5415 0.0000 0.0000 64.6858 31.7897 178.5686 92 H 4.3353 8.4275 112.6262 58.1451 28.4404 176.5582 93 L 3.9941 7.8853 119.5347 56.7920 41.5128 177.5449 94 K 4.0671 7.9162 117.8569 56.3635 30.4321 176.1691 95 Q 4.5303 8.1296 122.2664 52.7738 30.2597 173.9791 96 P 4.2617 0.0000 0.0000 65.5733 31.8933 178.2887 97 H 4.1215 8.5042 116.8151 58.5473 29.7982 175.4832 98 W 4.7140 8.2522 117.9004 56.3746 29.3963 176.6797 99 G 4.1483 9.2430 104.3911 46.4330 0.0000 175.3563 100 G 3.9054 8.5997 106.2346 44.9802 0.0000 175.8879 101 N 4.4024 8.8391 124.2293 53.7592 38.0249 174.0751 102 L 3.9252 7.9955 118.7124 52.5151 42.0387 175.6483 103 W 5.5799 8.2745 122.2119 54.5786 33.5089 174.3771 104 N 4.4865 9.1616 119.0378 53.2135 38.6372 173.4172 105 P 4.4007 0.0000 0.0000 65.1300 31.6784 176.5585 106 S 4.6197 8.5003 114.0139 57.8099 63.2343 171.9009 107 Y 5.3880 7.7339 120.7361 54.8708 41.5121 173.5118 108 C 4.5361 9.3072 120.3928 57.2507 34.4734 172.8898 109 V 5.1167 8.3306 124.8291 60.0038 33.7441 174.8806 110 L 5.0108 9.1255 124.3201 53.0647 45.8135 176.2553 111 T 4.6044 8.7159 113.3049 60.7010 70.2834 174.5726 112 V 3.6295 8.3893 122.0910 63.9739 31.7462 175.3319 113 S 4.6280 8.2495 119.7055 57.3023 65.8291 173.7344 114 E 4.0660 8.7279 118.5900 58.7432 29.3178 178.0707 115 H 4.8066 8.1915 115.2800 55.5535 29.2056 175.8735 116 T 4.0655 7.8440 121.1193 66.1365 68.2281 175.9681 117 R 3.8351 7.8978 119.4404 59.4048 30.2608 178.2785 118 A 4.0334 7.9449 120.1379 55.1010 18.4776 179.4070 119 Q 3.9468 8.4285 116.9518 59.2747 28.7991 179.2143 120 I 3.8859 8.0764 123.3149 64.9555 37.0274 179.1511 121 Q 3.9383 8.1402 121.4694 60.2524 27.9794 180.2494 122 Q 4.1724 8.4197 120.8800 59.0444 28.8278 178.6409 123 Y 4.0932 8.0810 120.0864 60.9203 38.8284 178.3667 124 I 3.4241 7.7455 120.5551 64.3399 36.9493 178.3823 125 E 3.9747 8.0926 118.2858 59.1047 29.3199 178.4666 126 N 4.6677 7.7857 114.4892 53.3089 38.9536 174.9951 127 Q 4.2358 7.1701 120.8596 55.2402 29.4673 174.9133 128 H 4.6563 8.7741 120.3094 54.3053 30.1634 174.4404 129 A 5.2303 8.7281 126.4496 50.1960 19.6441 177.0035 130 A 4.1110 8.9375 125.1071 52.4974 18.3583 177.0761 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 4.50 0.00 1.80 1.98 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 2.45 2.52 0.00 2 K 8.45 4.22 0.00 0.79 1.37 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.18 7.81 3 K 8.47 4.78 0.00 1.98 1.68 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 0.96 7.81 4 G 8.39 3.73 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 0.00 0.00 0.00 5 R 7.86 3.82 0.00 1.75 1.94 0.00 3.26 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 6 G 10.36 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 7 Y 6.97 4.87 0.00 3.25 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 8 V 8.30 5.13 2.13 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 0.87 0.00 0.00 0.93 0.00 0.00 9 Y 8.66 4.98 0.00 3.11 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 10 K 8.51 4.69 0.00 1.65 1.66 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.40 7.81 11 L 8.72 4.66 0.00 1.70 1.18 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.47 5.01 0.00 1.67 1.68 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 2.10 2.20 0.00 13 Y 8.84 5.07 0.00 2.98 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 14 H 9.42 5.02 0.00 3.28 3.30 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 9.54 5.31 0.00 1.86 1.64 1.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 I 9.32 5.61 1.79 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 0.86 0.51 1.10 0.00 0.00 17 W 8.19 5.66 0.00 3.50 3.29 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 18 A 8.88 5.51 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 19 T 9.07 4.95 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 1.41 0.00 0.00 20 K 9.45 3.93 0.00 1.77 1.70 0.00 1.92 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.11 1.55 7.81 21 Y 8.78 3.85 0.00 3.73 3.32 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 22 R 8.19 4.08 0.00 2.08 2.24 0.00 3.32 0.00 0.00 3.11 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 23 H 8.34 3.95 0.00 3.01 3.02 0.00 5.76 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 24 Q 8.15 4.36 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 25 V 7.20 3.94 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 0.23 0.00 0.00 0.78 0.00 0.00 26 L 7.74 4.32 0.00 1.93 1.58 1.14 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 V 6.77 4.52 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 0.69 0.00 0.00 0.88 0.00 0.00 28 D 8.25 4.13 0.00 2.76 1.90 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 29 E 8.71 4.11 0.00 2.22 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 0.00 2.34 2.40 0.00 30 V 7.73 2.40 1.90 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 0.59 0.00 0.00 0.28 0.00 0.00 31 A 7.64 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 4.42 0.00 2.90 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 33 G 8.67 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 34 L 8.28 4.10 0.00 1.96 1.92 1.26 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.08 3.99 0.00 2.04 1.84 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.67 7.81 36 D 7.93 4.36 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 37 I 8.06 3.74 2.12 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 1.57 0.82 1.02 0.00 0.00 38 L 8.52 4.07 0.00 1.73 1.77 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.23 3.92 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 40 D 8.12 4.34 0.00 2.93 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 41 I 8.35 3.96 1.93 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 1.45 1.67 0.95 0.00 0.00 42 A 8.27 3.94 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 43 T 7.79 3.80 4.41 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 1.22 0.00 0.00 44 Q 8.51 4.16 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 45 N 7.67 4.99 0.00 2.81 2.85 0.00 0.00 6.99 7.45 0.00 0.00 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 7.94 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 47 L 7.91 4.69 0.00 1.49 1.36 0.39 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.64 4.39 0.00 2.02 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 0.00 2.19 2.21 0.00 49 L 8.48 4.53 0.00 1.65 1.58 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.79 3.86 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 0.73 0.00 0.00 0.96 0.00 0.00 51 A 7.64 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.19 5.10 0.00 1.53 1.43 0.84 0.81 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 53 E 9.38 4.65 0.00 1.87 1.90 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 2.20 2.12 0.00 54 V 8.29 4.41 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 0.75 0.00 0.00 0.84 0.00 0.00 55 M 8.60 4.31 0.00 1.71 0.76 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.99 0.00 56 P 0.00 4.58 0.00 2.14 2.05 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 57 D 7.88 5.35 0.00 2.80 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 58 Y 7.61 5.20 0.00 3.20 3.06 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 59 V 8.50 4.55 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 0.40 0.00 0.00 -1.05 0.00 0.00 60 H 9.01 5.01 0.00 3.28 3.10 0.00 5.57 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.22 5.04 0.00 1.65 1.53 0.52 0.36 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 62 L 8.92 5.11 0.00 1.60 1.50 0.67 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 63 L 9.03 5.09 0.00 1.67 1.39 1.00 0.88 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 64 G 9.08 4.32 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 0.00 65 A 8.73 5.26 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 66 T 8.33 3.92 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 1.28 0.00 0.00 67 P 0.00 4.15 0.00 1.52 1.89 0.00 3.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.81 0.00 68 Q 7.21 4.10 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 69 H 7.90 4.37 0.00 3.46 3.58 0.00 5.81 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 70 V 8.32 4.23 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 1.01 0.00 0.00 0.91 0.00 0.00 71 I 7.98 2.00 1.49 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.03 0.44 0.00 0.00 72 P 0.00 3.98 0.00 2.03 2.03 0.00 3.39 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 73 D 7.65 4.23 0.00 2.85 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 74 F 7.77 4.29 0.00 3.13 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 75 V 7.47 3.27 1.46 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 0.16 0.00 0.00 0.20 0.00 0.00 76 K 7.82 3.74 0.00 2.01 1.77 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.34 7.81 77 A 8.08 3.96 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 78 L 8.06 3.94 0.00 1.74 1.81 1.10 1.02 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 79 K 7.90 3.22 0.00 1.39 1.39 0.00 0.84 0.00 0.00 1.09 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 G 8.14 3.57 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 0.00 81 A 8.30 4.13 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 0.00 0.00 82 S 8.30 4.20 0.00 4.46 4.39 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 83 A 8.41 3.49 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 84 R 8.02 4.02 0.00 2.17 2.06 0.00 3.24 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 85 R 8.39 4.06 0.00 1.96 2.01 0.00 3.17 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 86 M 8.18 4.18 0.00 1.98 1.87 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 2.70 2.96 0.00 87 F 8.16 4.61 0.00 3.21 2.97 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 88 S 7.94 4.17 0.00 3.94 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 89 A 7.94 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.37 4.94 0.00 3.18 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 91 P 0.00 4.54 0.00 2.24 2.15 0.00 3.96 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 92 H 8.43 4.34 0.00 3.32 3.52 0.00 5.53 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 93 L 7.89 3.99 0.00 1.93 1.83 0.80 0.78 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 94 K 7.92 4.07 0.00 1.83 1.65 0.00 1.50 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.66 1.27 7.81 95 Q 8.13 4.53 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.49 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 96 P 0.00 4.26 0.00 2.20 2.14 0.00 3.67 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 2.12 2.09 0.00 97 H 8.50 4.12 0.00 3.03 3.41 0.00 5.90 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 W 8.25 4.71 0.00 3.67 3.43 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 99 G 9.24 4.15 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 0.00 0.00 0.00 100 G 8.60 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 0.00 0.00 0.00 101 N 8.84 4.40 0.00 2.92 2.88 0.00 0.00 6.88 7.17 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 0.00 102 L 8.00 3.93 0.00 0.66 0.13 -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.27 5.58 0.00 3.23 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 0.00 104 N 9.16 4.49 0.00 2.93 3.14 0.00 0.00 7.22 8.29 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 0.00 105 P 0.00 4.40 0.00 2.26 2.22 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 106 S 8.50 4.62 0.00 3.92 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 0.00 107 Y 7.73 5.39 0.00 3.11 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 0.00 108 C 9.31 4.54 0.00 1.23 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 0.00 0.00 0.00 109 V 8.33 5.12 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 0.86 0.00 0.00 0.98 0.00 0.00 110 L 9.13 5.01 0.00 1.62 1.57 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.72 4.60 4.29 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 1.40 0.00 0.00 112 V 8.39 3.63 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 0.86 0.00 0.00 0.99 0.00 0.00 113 S 8.25 4.63 0.00 4.03 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 0.00 114 E 8.73 4.07 0.00 1.90 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 2.25 0.00 115 H 8.19 4.81 0.00 3.24 3.29 0.00 5.84 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 0.00 116 T 7.84 4.07 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 0.97 0.00 0.00 117 R 7.90 3.84 0.00 1.87 1.92 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 118 A 7.94 4.03 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 0.00 119 Q 8.43 3.95 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 120 I 8.08 3.89 1.96 0.00 0.00 0.59 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 0.59 0.83 0.00 0.00 121 Q 8.14 3.94 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 122 Q 8.42 4.17 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 123 Y 8.08 4.09 0.00 3.01 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 0.00 124 I 7.75 3.42 1.55 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 -0.36 0.68 0.00 0.00 125 E 8.09 3.97 0.00 2.09 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 2.31 2.39 0.00 126 N 7.79 4.67 0.00 2.76 2.82 0.00 0.00 7.02 6.97 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 0.00 127 Q 7.17 4.24 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 128 H 8.77 4.66 0.00 3.16 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.73 5.23 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 0.00 130 A 8.94 4.11 0.79 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