NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2907 8.2531 123.5812 51.8187 19.8790 177.6770 2 G 3.6979 8.2244 108.7169 44.7770 0.0000 171.9927 3 L 4.2494 7.6553 125.0780 54.1324 43.9554 176.1429 4 S 4.4214 8.6636 116.5310 57.4174 65.0667 173.5504 5 P 4.2303 0.0000 0.0000 65.8478 30.9183 178.7942 6 E 3.9314 8.0438 116.6165 59.6136 29.4310 179.1722 7 E 3.9518 8.0519 118.2551 59.3383 29.4773 179.5195 8 Q 3.8981 8.0922 118.1547 58.9408 28.7860 178.8309 9 I 3.6006 7.8036 120.7767 64.3433 37.1791 178.3280 10 E 3.9198 8.2411 119.3686 59.9029 29.3004 179.6982 11 T 3.8802 8.1381 116.2091 66.4085 68.4622 177.0783 12 R 3.6571 7.9934 118.2128 59.1984 29.4364 178.9214 13 Q 4.1888 8.0981 118.6203 58.6767 28.6941 178.6444 14 A 4.1199 8.1974 121.9340 55.0592 18.3349 179.8957 15 G 3.5365 8.1683 104.3090 48.2136 0.0000 175.5922 16 Y 4.4340 7.8924 119.3524 60.8333 37.9453 178.1728 17 E 4.0539 8.7081 120.5822 59.3507 29.6834 178.6750 18 F 4.3727 8.6877 120.8196 61.4706 39.3550 177.1879 19 M 4.3348 8.8030 119.0188 58.1956 31.6878 178.8459 20 G 3.7106 8.5386 106.1957 47.5089 0.0000 175.5087 21 W 4.2036 8.1772 130.6382 60.4589 30.5828 177.9289 22 N 3.7555 7.8163 116.0997 56.1102 37.8878 177.3820 23 M 4.3062 8.4760 120.7628 58.4959 32.1378 178.9529 24 G 3.7078 8.2831 105.8685 47.8068 0.0000 175.8788 25 K 3.8408 7.5755 120.5110 59.1037 31.9822 179.5733 26 I 3.3998 7.4461 120.1959 63.9865 36.8634 178.3537 27 K 3.5593 7.7498 120.1865 59.3161 31.9515 178.4706 28 A 3.9353 7.9358 120.9889 55.5329 18.0091 179.4429 29 N 4.2365 7.6861 113.4293 56.2257 38.6095 177.4055 30 L 4.2624 7.6509 119.8576 57.3527 41.8232 178.6027 31 E 4.3751 8.4518 117.6532 57.4818 30.2012 177.7043 32 G 4.1642 8.6008 107.1795 45.6698 0.0000 174.0792 33 E 4.6817 8.5501 124.0060 54.1195 31.6831 174.7489 34 Y 4.1755 8.5974 124.1563 57.3586 39.4214 174.8460 35 N 4.6795 9.1819 126.5610 51.7862 40.0662 174.6907 36 A 3.8365 8.5362 130.9557 55.2709 18.6418 178.7988 37 A 3.9593 7.9419 118.6669 55.1892 18.5520 179.7616 38 Q 3.8286 8.4876 116.9523 59.0353 28.7035 179.1113 39 V 3.3450 7.4720 119.2905 65.7181 31.3549 177.6679 40 E 3.8573 8.1674 118.9079 59.2230 29.3405 178.7178 41 A 3.9653 7.8937 120.3186 55.0490 18.5507 179.4896 42 A 4.1835 8.1185 120.4386 54.6853 18.3987 179.7593 43 A 3.9711 8.1500 119.4354 55.4494 18.4953 179.6937 44 N 4.3734 8.5686 115.3049 56.0845 38.4251 177.9641 45 V 3.6813 7.6501 120.0722 66.0055 31.6070 178.0105 46 I 3.7929 7.7135 119.0558 64.5195 36.9110 178.3591 47 A 3.8973 8.0772 121.2605 54.9806 17.9996 179.4932 48 A 3.9503 7.8965 118.2642 55.5369 18.7768 179.6872 49 I 3.9122 8.3056 118.3964 64.1611 36.9638 178.4576 50 A 4.2458 8.2432 121.5147 55.1522 18.2309 178.5505 51 N 4.7271 8.1694 112.3786 53.6638 38.7032 176.5055 52 S 4.5490 7.9271 115.2440 57.6625 64.5576 173.5732 53 G 3.7481 8.1499 109.9008 47.2507 0.0000 175.2327 54 M 4.2945 8.0281 118.2922 56.7543 32.8038 179.3516 55 G 3.7495 8.3367 108.0987 48.4435 0.0000 175.1864 56 A 4.2257 7.9309 121.1000 54.0166 18.3787 177.7468 57 L 4.5814 8.0256 115.2815 54.5469 42.0290 176.6805 58 Y 4.8188 7.6843 115.1355 57.3572 38.5570 175.4233 59 G 4.0035 8.6923 110.3239 44.1297 0.0000 171.1037 60 P 4.2577 0.0000 0.0000 64.1152 31.5193 177.4748 61 G 3.8839 8.7630 109.2570 46.1480 0.0000 173.8808 62 T 4.4427 7.2335 114.0039 63.2857 68.6341 174.8907 63 D 4.7170 7.6674 120.5430 53.3659 40.0768 175.6126 64 K 4.7006 7.3802 117.6853 54.6678 35.9533 175.3952 65 N 4.3816 8.6757 116.5056 53.6668 38.9977 175.2617 66 V 4.1954 8.4921 122.3305 61.8318 33.4740 175.6056 67 G 4.0229 8.3518 119.7488 47.0247 0.0000 173.8696 68 D 4.9071 8.6197 118.9024 53.7120 41.0910 176.7668 69 V 4.2420 7.7116 118.9028 60.9621 33.5160 173.9636 70 K 4.8954 8.4667 128.2610 55.1856 33.7107 175.2188 71 T 4.6978 8.2314 118.0177 60.6348 70.5018 173.6528 72 R 4.7391 8.4052 124.1503 55.8379 31.7859 175.8465 73 V 4.3104 7.5752 120.1577 61.4756 32.2521 176.4983 74 K 4.4425 9.3137 124.6258 55.4290 32.9857 176.4341 75 P 4.5197 0.0000 0.0000 66.3834 30.9529 178.2859 76 E 4.0765 8.6018 117.7864 59.4943 29.0662 178.7900 77 F 3.0180 8.1796 119.7366 61.3445 39.4212 177.1185 78 F 4.3189 8.2695 115.0139 59.9159 38.8129 177.3667 79 Q 4.2578 8.0871 116.7506 57.1837 29.6465 175.9520 80 N 4.9870 7.6983 118.0440 52.4074 39.0655 176.3486 81 M 3.6606 7.7744 119.7182 58.4987 32.3616 178.2703 82 E 3.8831 7.9780 118.3527 59.2207 29.7064 178.6930 83 D 4.2538 7.8621 117.6265 57.3085 41.4061 178.0353 84 V 3.4328 7.7784 119.2848 66.0393 31.2417 178.2106 85 G 3.5561 8.1344 105.4177 47.4254 0.0000 175.6209 86 K 3.9196 7.7803 121.3400 59.4038 32.2463 178.8706 87 I 4.0282 8.0604 121.0613 63.8892 37.1037 178.2847 88 A 4.1892 8.3579 121.8021 55.3794 18.2198 179.8955 89 R 3.9357 8.3035 116.9477 59.3310 29.9896 179.1248 90 E 4.0755 8.2839 117.2609 58.9545 29.5967 178.9625 91 F 4.3758 8.6558 122.1736 61.5589 39.4473 177.6520 92 V 3.2340 7.9975 111.9966 63.8344 31.2143 178.8483 93 G 3.5473 8.1357 105.6443 47.6371 0.0000 175.6978 94 A 3.9641 7.9977 123.0099 54.9247 18.4798 179.6778 95 A 3.8762 8.0368 119.6355 55.1465 18.3421 179.6878 96 N 4.2526 8.3471 115.5191 56.8020 38.5555 177.8062 97 T 3.8975 8.0719 117.2551 66.2897 68.4024 176.4581 98 L 3.9470 8.2776 122.4394 58.3008 41.6975 179.0217 99 A 3.9775 7.9672 120.5737 54.8639 18.0155 179.1825 100 E 3.8734 8.0027 117.1537 59.6448 30.1120 179.0547 101 V 3.7367 8.0708 118.1521 65.8548 31.6156 177.8230 102 A 4.0973 8.4644 120.6272 54.9471 17.9365 179.3811 103 A 4.4146 7.8351 119.5068 54.5982 18.4585 179.4289 104 T 4.0886 7.8235 107.6927 62.7833 69.1323 176.0886 105 G 3.9363 7.8898 108.5608 45.8061 0.0000 174.2703 106 E 4.0876 7.9880 121.1298 54.6394 28.8343 176.0803 107 A 3.3955 7.9267 128.2154 54.9171 18.4340 178.6454 108 E 3.8054 7.9357 116.7165 59.3455 29.8457 178.7305 109 A 4.1050 7.9528 120.7625 55.0856 18.3410 179.7356 110 V 3.6172 8.0552 117.0128 65.8839 31.6848 178.0464 111 K 3.9870 8.1349 119.7544 59.8560 32.0511 178.8376 112 T 4.0211 7.6811 108.3430 64.6040 68.9747 176.6286 113 A 4.0331 7.9333 123.2738 54.8269 18.3684 179.2990 114 F 4.3547 8.6853 119.4845 61.5298 39.4487 177.6179 115 G 3.5102 8.0682 104.9277 47.7812 0.0000 175.4022 116 D 4.3789 8.2364 121.4353 57.1288 40.8022 179.3001 117 V 3.8298 7.9911 119.8720 64.7295 31.5043 178.4498 118 G 3.4751 7.9722 106.3211 47.4711 0.0000 175.4532 119 A 3.9052 7.9379 122.6647 54.8276 18.4935 179.4828 120 A 3.9335 7.9398 119.3073 55.5203 18.4951 179.5625 121 C 3.7154 8.1485 115.4123 62.8383 28.2631 176.6332 122 K 3.9985 7.9646 120.1625 59.7444 32.3708 179.4053 123 S 4.0507 8.2406 116.8568 61.6786 62.6940 176.1973 124 C 4.3077 7.8503 120.8527 62.6662 31.2993 175.3290 125 H 4.2350 7.9083 117.9520 58.5424 28.0069 177.1467 126 E 3.8551 8.3460 120.6915 59.4874 29.5276 178.8132 127 K 3.8922 7.1786 115.2362 58.1484 32.4125 177.1377 128 Y 5.0641 7.9979 113.6049 57.2747 40.2792 175.2057 129 R 5.0897 8.1268 120.0599 53.8099 32.6336 175.0979 130 A 3.9673 8.7809 128.4565 53.3211 19.0309 177.6935 131 K 4.0666 8.9401 120.3811 56.7727 31.8211 175.9758 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 A 8.25 4.29 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 2 G 8.22 3.70 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 0.00 0.00 0.00 3 L 7.66 4.25 0.00 1.62 1.59 0.98 0.94 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 4 S 8.66 4.42 0.00 4.05 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.23 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 6 E 8.04 3.93 0.00 2.03 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 2.39 2.45 0.00 7 E 8.05 3.95 0.00 2.16 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 2.33 0.00 8 Q 8.09 3.90 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 9 I 7.80 3.60 1.84 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 1.48 0.64 0.89 0.00 0.00 10 E 8.24 3.92 0.00 2.05 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 2.44 0.00 11 T 8.14 3.88 4.16 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 1.14 0.00 0.00 12 R 7.99 3.66 0.00 1.72 1.84 0.00 2.66 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 13 Q 8.10 4.19 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 14 A 8.20 4.12 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 15 G 8.17 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.89 4.43 0.00 3.24 2.94 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 0.00 0.00 0.00 0.00 17 E 8.71 4.05 0.00 2.38 2.20 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 2.38 2.46 0.00 18 F 8.69 4.37 0.00 3.32 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 19 M 8.80 4.33 0.00 2.29 2.44 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.75 0.00 20 G 8.54 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 21 W 8.18 4.20 0.00 3.28 3.09 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 22 N 7.82 3.76 0.00 2.72 2.80 0.00 0.00 7.08 9.01 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 23 M 8.48 4.31 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.96 0.00 24 G 8.28 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 25 K 7.58 3.84 0.00 1.53 1.51 0.00 1.21 0.00 0.00 0.81 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.04 0.66 7.81 26 I 7.45 3.40 1.58 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 1.20 0.44 0.16 0.00 0.00 27 K 7.75 3.56 0.00 1.94 1.95 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.58 7.81 28 A 7.94 3.94 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 29 N 7.69 4.24 0.00 2.64 2.59 0.00 0.00 7.11 7.30 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 30 L 7.65 4.26 0.00 1.72 1.72 0.73 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.45 4.38 0.00 2.01 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 2.33 2.43 0.00 32 G 8.60 4.16 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 0.00 0.00 0.00 33 E 8.55 4.68 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 34 Y 8.60 4.18 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 9.18 4.68 0.00 2.64 2.60 0.00 0.00 6.63 8.03 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 36 A 8.54 3.84 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 37 A 7.94 3.96 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 38 Q 8.49 3.83 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 39 V 7.47 3.34 1.82 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 0.97 0.00 0.00 0.29 0.00 0.00 40 E 8.17 3.86 0.00 2.19 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 2.30 2.32 0.00 41 A 7.89 3.97 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 42 A 8.12 4.18 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 43 A 8.15 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.57 4.37 0.00 2.91 2.90 0.00 0.00 6.67 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 45 V 7.65 3.68 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 1.39 0.00 0.00 1.15 0.00 0.00 46 I 7.71 3.79 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.90 1.06 0.00 0.00 47 A 8.08 3.90 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 48 A 7.90 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.31 3.91 2.02 0.00 0.00 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 1.54 0.87 1.00 0.00 0.00 50 A 8.24 4.25 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.17 4.73 0.00 2.80 2.85 0.00 0.00 7.06 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 52 S 7.93 4.55 0.00 4.05 4.17 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 53 G 8.15 3.75 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 0.00 0.00 0.00 54 M 8.03 4.29 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.45 0.00 55 G 8.34 3.75 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 0.00 0.00 0.00 56 A 7.93 4.23 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.03 4.58 0.00 1.49 1.61 0.82 0.98 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 58 Y 7.68 4.82 0.00 3.00 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 59 G 8.69 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 60 P 0.00 4.26 0.00 2.06 2.00 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 61 G 8.76 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.23 4.44 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 1.51 0.00 0.00 63 D 7.67 4.72 0.00 2.46 1.54 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 0.00 0.00 0.00 0.00 64 K 7.38 4.70 0.00 1.78 1.77 0.00 1.45 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.44 7.81 65 N 8.68 4.38 0.00 2.71 2.81 0.00 0.00 6.59 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.49 4.20 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 1.01 0.00 0.00 0.95 0.00 0.00 67 G 8.35 4.02 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 0.00 0.00 0.00 68 D 8.62 4.91 0.00 2.64 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 69 V 7.71 4.24 2.20 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 1.00 0.00 0.00 0.97 0.00 0.00 70 K 8.47 4.90 0.00 1.75 1.68 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.56 7.81 71 T 8.23 4.70 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 72 R 8.41 4.74 0.00 1.78 1.89 0.00 3.18 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 73 V 7.58 4.31 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 0.89 0.00 0.00 0.71 0.00 0.00 74 K 9.31 4.44 0.00 1.90 2.05 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.61 1.60 7.81 75 P 0.00 4.52 0.00 2.36 2.41 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 76 E 8.60 4.08 0.00 2.33 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 0.00 2.51 2.57 0.00 77 F 8.18 3.02 0.00 2.90 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 78 F 8.27 4.32 0.00 3.31 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 79 Q 8.09 4.26 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.51 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 80 N 7.70 4.99 0.00 2.78 2.74 0.00 0.00 6.88 7.82 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 81 M 7.77 3.66 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.41 0.00 82 E 7.98 3.88 0.00 1.97 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 2.36 2.32 0.00 83 D 7.86 4.25 0.00 2.80 2.81 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 84 V 7.78 3.43 1.62 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 0.28 0.00 0.00 -0.52 0.00 0.00 85 G 8.13 3.56 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 0.00 0.00 0.00 86 K 7.78 3.92 0.00 2.01 1.95 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.62 7.81 87 I 8.06 4.03 2.03 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 1.43 1.55 0.94 0.00 0.00 88 A 8.36 4.19 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 89 R 8.30 3.94 0.00 2.02 2.00 0.00 3.13 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 90 E 8.28 4.08 0.00 2.26 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 2.49 2.38 0.00 91 F 8.66 4.38 0.00 3.11 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 92 V 8.00 3.23 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 0.79 0.00 0.00 0.89 0.00 0.00 93 G 8.14 3.55 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 0.00 0.00 0.00 94 A 8.00 3.96 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 95 A 8.04 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.35 4.25 0.00 2.87 2.84 0.00 0.00 6.96 7.44 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 97 T 8.07 3.90 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 98 L 8.28 3.95 0.00 1.79 1.86 1.05 1.40 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 99 A 7.97 3.98 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 0.00 100 E 8.00 3.87 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 101 V 8.07 3.74 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 102 A 8.46 4.10 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 0.00 103 A 7.84 4.41 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 0.00 104 T 7.82 4.09 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 105 G 7.89 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.99 4.09 0.00 2.06 1.84 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 2.24 2.29 0.00 107 A 7.93 3.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.94 3.81 0.00 2.02 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 2.34 2.41 0.00 109 A 7.95 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.06 3.62 2.31 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 1.15 0.00 0.00 1.07 0.00 0.00 111 K 8.13 3.99 0.00 2.04 1.99 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.52 7.81 112 T 7.68 4.02 4.26 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 1.23 0.00 0.00 113 A 7.93 4.03 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 0.00 114 F 8.69 4.35 0.00 3.17 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 0.00 115 G 8.07 3.51 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 0.00 116 D 8.24 4.38 0.00 2.91 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 0.00 117 V 7.99 3.83 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 0.91 0.00 0.00 1.14 0.00 0.00 118 G 7.97 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 0.00 119 A 7.94 3.91 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 0.00 120 A 7.94 3.93 1.57 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 0.00 121 C 8.15 3.72 0.00 2.94 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.96 4.00 0.00 1.96 2.01 0.00 1.28 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.42 7.81 123 S 8.24 4.05 0.00 4.01 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 0.00 124 C 7.85 4.31 0.00 2.99 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 7.91 4.23 0.00 3.31 3.24 0.00 5.71 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 0.00 126 E 8.35 3.86 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 127 K 7.18 3.89 0.00 0.96 0.74 0.00 1.43 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.13 1.25 7.81 128 Y 8.00 5.06 0.00 3.14 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 0.00 129 R 8.13 5.09 0.00 1.80 1.83 0.00 3.12 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 130 A 8.78 3.97 1.24 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 0.00 0.00 0.00 131 K 8.94 4.07 0.00 1.78 2.07 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 1.33 7.81