NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1612 8.1727 122.0505 56.2907 34.1589 174.1330 2 V 4.5285 8.1217 126.5839 60.6935 32.2926 174.5401 3 F 4.2705 9.9053 128.7750 57.5554 40.2544 174.7897 4 E 4.3728 8.8178 120.8068 55.4020 31.1971 176.9138 5 R 3.2883 8.9259 121.9473 60.6410 29.9879 179.5354 6 C 4.3489 8.0253 115.2759 59.5614 38.2855 175.7015 7 E 3.9010 8.0849 120.7983 59.2463 29.2672 178.4748 8 L 3.5522 7.9825 120.1150 57.7582 42.0311 178.6178 9 A 3.9282 7.8490 120.7215 55.4771 18.3816 179.9573 10 R 3.9229 8.1065 116.4107 59.4508 30.1718 179.5625 11 T 3.8409 7.8982 115.7502 66.6387 68.4696 176.7446 12 L 3.8767 8.0813 121.2684 57.5772 41.5809 179.5455 13 K 3.9305 8.0224 119.6727 59.4867 31.9346 178.9329 14 R 3.9886 7.7984 117.9272 58.7438 29.9952 177.4092 15 L 4.4279 7.3786 116.5225 53.9267 41.7111 176.7252 16 G 3.8701 7.7139 106.6188 47.0094 0.0000 175.3157 17 M 3.9011 7.8223 121.4658 56.5186 32.3734 175.8814 18 D 4.4462 8.0148 118.1073 55.7754 41.3750 175.8044 19 G 3.9313 9.3392 115.4715 45.5413 0.0000 171.4497 20 Y 4.1596 8.2938 122.0440 58.4394 38.8327 176.2596 21 R 3.2754 8.9176 127.4975 57.3614 27.6482 177.3568 22 G 3.8061 8.0618 103.2749 45.6640 0.0000 173.9565 23 I 4.1095 7.4291 121.9417 59.0238 38.1215 175.8598 24 S 4.6811 8.3112 120.3782 57.6701 64.0248 174.9091 25 L 4.2152 8.9085 123.3413 58.6639 41.7838 179.3735 26 A 4.1646 8.1888 119.9841 55.2611 18.2822 179.2607 27 N 4.4403 8.2103 114.9787 56.2831 38.6422 177.7043 28 W 4.2478 8.0391 119.9355 59.9757 29.2111 178.3786 29 M 4.2085 8.4740 118.8410 58.5038 31.4096 177.9484 30 C 3.1445 7.9991 118.6199 59.0437 43.2394 175.2852 31 L 3.9470 8.0767 121.6299 58.3467 41.7397 178.8250 32 A 4.0079 8.3327 120.6199 54.8673 18.2217 179.4747 33 K 2.7747 8.0209 118.0505 59.3416 32.0522 179.1557 34 W 4.2046 7.5931 117.3530 59.2096 29.0549 178.3722 35 E 4.3031 8.3920 118.8767 58.7127 28.8461 177.8582 36 S 4.4882 7.8196 109.0041 56.7466 64.9987 174.2672 37 G 3.1396 8.1379 108.8979 47.0845 0.0000 173.4714 38 Y 3.6325 7.6177 113.1768 58.6030 34.9762 168.6866 39 N 5.3760 7.6407 118.5934 51.9716 39.9398 175.6957 40 T 4.0801 8.9942 117.6123 63.8720 69.1978 175.9547 41 R 4.5512 8.0043 116.8481 55.6066 30.0260 176.0389 42 A 4.3713 7.6825 121.6394 52.6448 19.3351 177.2294 43 T 5.1212 8.3751 111.2712 60.1252 72.4211 173.2355 44 N 4.9432 8.7643 120.7531 51.8378 42.8367 172.8847 45 Y 4.5325 8.7517 125.7503 57.3013 40.8648 173.9248 46 N 4.7462 8.4958 124.8179 51.2112 37.8826 175.3244 47 A 3.7450 8.2767 128.1655 54.7778 18.9267 180.0228 48 G 3.8330 8.0463 104.0741 48.0942 0.0000 173.6918 49 D 4.7156 7.0066 112.4794 52.0321 40.2681 175.6217 50 R 3.9638 8.0582 115.9908 57.1229 28.1534 175.7914 51 S 4.9822 7.5331 111.6816 56.9684 66.5775 172.6967 52 T 5.0616 8.7591 115.6386 62.0076 72.8498 172.7771 53 D 5.4524 8.9841 125.1398 53.1782 43.3066 175.0522 54 Y 4.7756 9.2855 120.8057 57.5319 41.6127 177.1760 55 G 4.4208 9.0606 111.7072 46.2733 0.0000 173.3725 56 I 3.7504 8.3460 116.8086 62.9619 37.8596 177.1962 57 F 4.5201 7.9189 115.2156 56.2759 39.6917 175.4565 58 Q 3.5895 7.6692 118.9584 57.2978 26.2459 173.1021 59 Y 4.6433 8.5442 116.4577 57.8517 39.9127 176.1788 60 N 5.4983 9.8125 123.5281 52.7424 39.9641 175.7567 61 S 4.6407 9.2330 121.2531 60.8740 63.1730 175.3433 62 R 3.7636 8.7355 121.6473 58.3301 30.3893 177.5714 63 Y 4.0963 7.6134 114.3289 58.5194 40.7122 177.1529 64 W 4.7630 8.1071 118.8824 57.7606 30.2886 173.6676 65 C 5.5183 7.9192 109.8968 53.6092 45.7887 172.2362 66 N 4.8944 8.9311 119.6819 52.1268 39.8318 174.8067 67 D 4.8356 8.5350 122.9996 52.2242 40.5625 178.0719 68 G 4.0886 8.4908 109.5702 45.9948 0.0000 174.7658 69 K 4.3997 7.9479 115.9543 56.6980 33.1083 175.9709 70 T 4.5705 7.7618 117.1748 61.6222 69.3640 172.9442 71 P 4.2988 0.0000 0.0000 63.6069 32.0381 176.1414 72 G 3.9157 8.4592 108.2819 46.5052 0.0000 172.8473 73 A 4.6801 7.7187 118.3399 50.4300 21.1014 177.5565 74 V 4.3502 8.2347 112.5175 59.2678 35.7401 175.9007 75 N 4.9361 8.0906 117.9384 51.7457 37.6673 174.3363 76 A 3.9555 8.8450 125.0082 54.9698 19.1075 178.5279 77 C 4.4576 8.3521 110.8755 57.2804 41.0786 173.0313 78 H 4.0821 7.8115 116.4381 56.6796 26.3375 174.1508 79 L 4.8147 8.2575 117.5290 52.8112 46.4110 176.7449 80 S 4.6249 8.3161 115.2807 58.0356 63.3242 176.0387 81 C 4.1434 8.6555 124.0232 59.5415 39.8364 176.4268 82 S 3.9447 7.6686 115.2057 61.2458 61.7084 175.9291 83 A 4.1173 7.7840 122.3870 54.3957 17.7937 177.9347 84 L 4.4730 7.6116 116.3748 55.0260 41.7512 177.6144 85 L 5.0528 7.7547 117.1272 54.5357 42.3890 176.7514 86 Q 4.3667 7.8553 117.8103 55.4670 29.4917 175.9564 87 D 4.4442 8.5121 119.5663 56.9121 41.2074 176.7827 88 N 4.6225 8.0555 118.1959 53.1165 39.4303 174.6863 89 I 4.3020 8.4446 118.5723 60.9452 38.0794 176.9883 90 A 3.9403 8.4420 124.9822 56.0928 18.1886 180.1702 91 D 4.2687 8.0699 116.3948 57.3458 40.8817 178.6657 92 A 3.9644 7.9722 120.9236 55.1154 18.4459 179.7464 93 V 3.4004 8.1676 116.8611 65.9943 31.5769 178.0928 94 A 3.8507 7.9572 120.5699 55.2995 18.0676 178.8302 95 C 4.1342 8.2357 116.7704 59.5132 37.9273 175.6162 96 A 4.1514 8.1701 122.7353 55.1321 17.6613 179.7773 97 K 3.8272 7.6929 116.2333 59.3562 32.4142 179.2766 98 R 4.0726 7.6917 118.6782 59.3847 29.9246 178.5962 99 V 2.8744 7.7204 118.2350 65.8775 31.1943 177.8054 100 V 3.9582 7.5234 108.2522 62.4141 31.7209 177.6779 101 R 4.1391 7.7163 118.1137 57.5284 30.3953 176.0461 102 D 4.7133 7.3214 119.1143 53.0206 41.7289 175.2949 103 P 4.2668 0.0000 0.0000 66.2006 31.2346 177.9384 104 Q 4.0211 8.1768 117.5611 56.5857 30.1210 177.2114 105 G 3.7145 7.7039 106.5561 46.3024 0.0000 176.6756 106 I 3.5489 7.7805 121.6566 63.3117 37.9029 177.7027 107 R 4.2206 7.2560 117.8626 57.8675 29.9554 177.5010 108 A 4.0421 7.6171 120.6901 53.9838 18.6857 177.4077 109 W 4.7193 7.9757 116.9343 55.1594 30.0959 177.2421 110 V 3.7119 8.7464 123.8673 66.0944 30.8275 177.5572 111 A 4.0548 8.2877 120.0511 54.8306 18.1195 179.1821 112 W 3.9938 8.3860 126.7852 60.7034 30.5662 178.3816 113 R 3.6844 8.1657 116.2976 59.3097 29.6422 178.4111 114 N 4.3634 7.8138 114.8104 55.4798 38.7416 176.8377 115 R 4.0731 7.7770 114.1798 56.0368 30.5963 175.8266 116 C 4.5404 7.7612 116.5808 57.9472 42.7152 174.3653 117 Q 3.2410 6.4850 119.2118 57.1770 28.7374 175.4302 118 N 4.2038 8.6990 120.0360 53.9901 36.1559 173.7464 119 R 4.4884 7.2686 116.1860 54.0163 32.8603 175.7581 120 D 4.5436 8.4217 118.9525 54.2011 40.2409 175.8413 121 V 4.5643 8.1925 118.8956 61.3639 32.4025 178.4199 122 R 4.0502 8.1010 122.3882 59.4355 29.5659 178.6654 123 Q 4.0119 8.1106 116.0079 59.5064 28.3341 178.1378 124 Y 4.3008 7.8824 117.8314 59.9289 38.3324 176.8005 125 V 4.3757 7.7657 110.7020 60.7038 33.1232 175.4487 126 Q 4.2052 7.9799 120.3199 57.3576 28.7301 176.7919 127 G 3.9771 8.9963 111.2583 45.7099 0.0000 174.4424 128 C 4.3812 7.9509 115.8311 57.2363 40.5185 174.3067 129 G 3.8705 8.1721 107.2536 46.3691 0.0000 174.0927 130 V 3.9820 7.7981 118.0580 61.0849 31.8899 175.8831 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 K 8.17 4.16 0.00 1.98 1.63 0.00 1.23 0.00 0.00 0.76 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.87 1.12 7.81 2 V 8.12 4.53 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 0.90 0.00 0.00 0.94 0.00 0.00 3 F 9.91 4.27 0.00 2.90 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 E 8.82 4.37 0.00 1.89 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 2.29 2.24 0.00 5 R 8.93 3.29 0.00 1.90 1.92 0.00 3.41 0.00 0.00 3.44 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 6 C 8.03 4.35 0.00 3.00 3.11 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 0.00 0.00 0.00 7 E 8.08 3.90 0.00 2.07 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 0.00 2.63 2.44 0.00 8 L 7.98 3.55 0.00 1.37 1.39 -0.08 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.85 3.93 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 10 R 8.11 3.92 0.00 1.87 1.99 0.00 3.13 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 11 T 7.90 3.84 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 1.20 0.00 0.00 12 L 8.08 3.88 0.00 1.73 1.58 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.02 3.93 0.00 1.94 1.91 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.80 3.99 0.00 1.96 2.07 0.00 3.30 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.38 4.43 0.00 1.68 1.55 0.85 0.69 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 16 G 7.71 3.87 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 0.00 0.00 0.00 17 M 7.82 3.90 0.00 1.31 1.96 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.25 0.00 18 D 8.01 4.45 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.34 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 20 Y 8.29 4.16 0.00 3.32 3.16 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 0.00 0.00 0.00 0.00 21 R 8.92 3.28 0.00 1.89 1.85 0.00 3.22 0.00 0.00 2.97 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 22 G 8.06 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 23 I 7.43 4.11 1.88 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.91 -0.26 0.00 0.00 24 S 8.31 4.68 0.00 4.07 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 25 L 8.91 4.22 0.00 2.12 1.82 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.19 4.16 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.21 4.44 0.00 2.85 2.69 0.00 0.00 6.91 7.25 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 28 W 8.04 4.25 0.00 3.55 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 29 M 8.47 4.21 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.92 0.00 30 C 8.00 3.14 0.00 2.43 3.10 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 31 L 8.08 3.95 0.00 1.87 1.87 0.74 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.33 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 33 K 8.02 2.77 0.00 1.58 1.78 0.00 0.68 0.00 0.00 1.21 0.00 0.00 2.56 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.09 0.21 7.81 34 W 7.59 4.20 0.00 3.33 3.26 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 35 E 8.39 4.30 0.00 2.03 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 2.53 2.34 0.00 36 S 7.82 4.49 0.00 4.05 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 37 G 8.14 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 0.00 0.00 0.00 38 Y 7.62 3.63 0.00 3.22 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 39 N 7.64 5.38 0.00 2.83 2.81 0.00 0.00 7.01 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 40 T 8.99 4.08 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 1.50 0.00 0.00 41 R 8.00 4.55 0.00 2.02 2.10 0.00 3.09 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 42 A 7.68 4.37 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 43 T 8.38 5.12 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 1.37 0.00 0.00 44 N 8.76 4.94 0.00 2.81 2.72 0.00 0.00 6.56 7.64 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 45 Y 8.75 4.53 0.00 3.04 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 46 N 8.50 4.75 0.00 2.61 2.60 0.00 0.00 6.58 8.08 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 47 A 8.28 3.74 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.05 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 0.00 0.00 0.00 49 D 7.01 4.72 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 3.96 0.00 2.06 2.18 0.00 3.12 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 51 S 7.53 4.98 0.00 3.81 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 52 T 8.76 5.06 4.14 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 0.69 0.00 0.00 53 D 8.98 5.45 0.00 2.68 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 54 Y 9.29 4.78 0.00 3.06 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 55 G 9.06 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.35 3.75 1.76 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 0.81 1.60 0.39 0.00 0.00 57 F 7.92 4.52 0.00 2.35 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 0.00 0.00 0.00 0.00 58 Q 7.67 3.59 0.00 2.45 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 59 Y 8.54 4.64 0.00 3.25 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 60 N 9.81 5.50 0.00 3.13 3.08 0.00 0.00 7.44 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 61 S 9.23 4.64 0.00 4.07 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 62 R 8.74 3.76 0.00 1.57 1.33 0.00 2.64 0.00 0.00 2.92 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 63 Y 7.61 4.10 0.00 1.73 1.56 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 64 W 8.11 4.76 0.00 3.64 3.27 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 65 C 7.92 5.52 0.00 3.10 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 66 N 8.93 4.89 0.00 2.78 2.69 0.00 0.00 7.09 9.15 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 67 D 8.54 4.84 0.00 2.90 2.79 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 68 G 8.49 4.09 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 0.00 69 K 7.95 4.40 0.00 1.94 1.94 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 70 T 7.76 4.57 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 1.16 0.00 0.00 71 P 0.00 4.30 0.00 2.02 1.97 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 72 G 8.46 3.92 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 0.00 0.00 0.00 73 A 7.72 4.68 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 74 V 8.23 4.35 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 0.63 0.00 0.00 0.87 0.00 0.00 75 N 8.09 4.94 0.00 2.77 2.63 0.00 0.00 6.75 8.02 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 76 A 8.85 3.96 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 77 C 8.35 4.46 0.00 3.26 3.12 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 78 H 7.81 4.08 0.00 3.28 3.34 0.00 5.79 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 79 L 8.26 4.81 0.00 1.61 1.44 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.32 4.62 0.00 3.82 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 81 C 8.66 4.14 0.00 2.29 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 82 S 7.67 3.94 0.00 3.81 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 83 A 7.78 4.12 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 84 L 7.61 4.47 0.00 1.99 1.92 0.87 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.75 5.05 0.00 1.82 1.73 1.12 0.94 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 86 Q 7.86 4.37 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 87 D 8.51 4.44 0.00 2.64 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 88 N 8.06 4.62 0.00 2.70 2.75 0.00 0.00 6.94 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 89 I 8.44 4.30 1.86 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.65 0.99 0.00 0.00 90 A 8.44 3.94 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 91 D 8.07 4.27 0.00 2.68 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 92 A 7.97 3.96 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 3.40 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 0.73 0.00 0.00 0.89 0.00 0.00 94 A 7.96 3.85 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 95 C 8.24 4.13 0.00 2.84 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 96 A 8.17 4.15 1.03 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 0.00 0.00 97 K 7.69 3.83 0.00 1.63 1.46 0.00 1.31 0.00 0.00 0.94 0.00 0.00 2.31 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.89 7.81 98 R 7.69 4.07 0.00 1.93 2.11 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 99 V 7.72 2.87 1.92 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 -0.15 0.00 0.00 -0.69 0.00 0.00 100 V 7.52 3.96 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 1.06 0.00 0.00 1.48 0.00 0.00 101 R 7.72 4.14 0.00 2.21 2.03 0.00 3.34 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 102 D 7.32 4.71 0.00 2.91 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 0.00 103 P 0.00 4.27 0.00 2.15 2.19 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 104 Q 8.18 4.02 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.84 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 105 G 7.70 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 0.00 106 I 7.78 3.55 1.04 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.14 -0.61 0.00 0.00 107 R 7.26 4.22 0.00 1.97 2.03 0.00 3.24 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.57 0.00 108 A 7.62 4.04 0.90 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 0.00 0.00 109 W 7.98 4.72 0.00 3.45 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 0.00 110 V 8.75 3.71 2.17 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 1.09 0.00 0.00 0.99 0.00 0.00 111 A 8.29 4.05 1.50 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 0.00 112 W 8.39 3.99 0.00 3.46 3.47 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 0.00 113 R 8.17 3.68 0.00 2.07 1.98 0.00 3.59 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.11 0.00 114 N 7.81 4.36 0.00 2.55 2.71 0.00 0.00 6.95 7.54 0.00 0.00 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 R 7.78 4.07 0.00 0.96 0.84 0.00 2.77 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.02 0.00 116 C 7.76 4.54 0.00 1.81 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 0.00 117 Q 6.49 3.24 0.00 0.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.63 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 118 N 8.70 4.20 0.00 2.80 2.84 0.00 0.00 6.88 7.66 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 0.00 119 R 7.27 4.49 0.00 1.81 1.81 0.00 3.23 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 120 D 8.42 4.54 0.00 2.65 2.64 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 0.00 121 V 8.19 4.56 2.34 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 0.92 0.00 0.00 1.04 0.00 0.00 122 R 8.10 4.05 0.00 1.96 2.03 0.00 3.33 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 123 Q 8.11 4.01 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.11 0.00 0.00 0.00 0.00 0.00 1.96 1.61 0.00 124 Y 7.88 4.30 0.00 3.25 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 0.00 125 V 7.77 4.38 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 1.04 0.00 0.00 1.06 0.00 0.00 126 Q 7.98 4.21 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.60 2.31 0.00 127 G 9.00 3.98 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 0.00 0.00 0.00 128 C 7.95 4.38 0.00 3.11 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 0.00 129 G 8.17 3.87 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 0.00 0.00 0.00 130 V 7.80 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 0.70 0.00 0.00 0.96 0.00 0.00