NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4028 8.3049 120.3490 55.2746 33.2258 175.2393 2 E 4.1213 8.6862 125.7603 54.4549 30.5965 174.4930 3 S 4.0862 8.3699 115.2629 58.4862 64.1443 173.6557 4 K 4.3448 8.5699 125.5651 57.3774 33.1336 177.0317 5 R 4.3081 7.7885 112.7414 56.2005 29.8627 176.9244 6 N 4.7589 7.5940 114.7684 54.0343 39.5584 175.7553 7 K 4.2294 7.9540 118.1134 55.2351 32.7524 175.0820 8 P 4.8292 0.0000 0.0000 62.8562 32.0167 175.3756 9 G 4.1471 8.3963 107.5649 45.1975 0.0000 171.3987 10 K 5.0819 8.2116 118.3277 54.5021 35.4273 175.8322 11 A 4.6982 8.6889 124.5310 52.5323 19.8597 177.0807 12 T 4.8107 8.8906 113.9287 60.2495 72.2864 174.6602 13 G 4.3690 8.8894 105.3666 46.3426 0.0000 173.4153 14 K 4.0259 9.5718 119.2502 56.7757 32.7274 173.8519 15 G 3.7129 9.1735 116.8391 44.4608 0.0000 173.2789 16 K 3.9061 8.3685 125.3163 55.6207 32.7677 174.1497 17 P 5.2228 0.0000 0.0000 60.8763 32.6788 175.5048 18 V 4.5747 8.0082 113.9084 59.5564 35.9434 174.7341 19 G 4.2400 7.6755 109.6284 44.2674 0.0000 175.4509 20 D 4.4310 7.9321 120.7460 55.3345 40.9444 178.8171 21 K 4.1465 8.3122 116.8459 56.9649 31.4920 178.2215 22 W 4.0585 9.0875 118.9391 59.5291 27.9850 178.2031 23 L 3.3153 7.2082 118.9135 56.8490 40.9957 178.7623 24 D 4.3966 7.5467 119.0088 57.2920 40.1693 178.2796 25 D 4.4632 7.9093 118.7038 56.9192 40.5951 178.4739 26 A 4.3668 7.9229 121.6491 54.5876 18.1224 179.7984 27 G 3.5719 7.9069 106.3335 47.9079 0.0000 173.3327 28 K 4.5935 7.6990 117.6689 54.1867 35.8665 175.4320 29 D 4.2834 8.4456 117.8438 55.8714 39.2863 174.6441 30 S 4.2167 8.6218 116.4479 60.2241 63.1710 173.9069 31 G 3.8900 7.4918 105.6551 43.3035 0.0000 172.9582 32 A 4.4355 8.7378 121.3259 50.8175 19.2048 176.1131 33 P 4.7548 0.0000 0.0000 62.3962 32.8748 176.0850 34 I 3.9904 8.1752 121.5585 60.3225 37.5779 174.5012 35 P 4.2522 0.0000 0.0000 62.9682 31.8281 177.1618 36 D 4.4033 8.5524 125.5224 56.1362 39.0187 179.0414 37 R 3.8576 7.8611 118.0022 59.0558 30.2473 178.4627 38 I 3.6779 7.5290 118.2895 64.4698 37.1804 178.2168 39 A 3.9987 8.1201 121.5771 55.3113 17.9641 179.3706 40 D 4.3334 7.8829 116.5860 57.4043 40.9669 178.7946 41 K 4.1848 7.7566 117.1327 57.9132 32.1761 177.4898 42 L 4.7303 7.4063 116.6158 53.9100 43.6145 176.8745 43 R 3.9887 7.8197 119.9731 57.4283 30.5294 176.7531 44 D 4.4670 8.6195 121.6657 54.7866 40.2597 174.1743 45 K 4.0400 7.7763 120.4226 56.1742 32.8827 176.0777 46 E 4.5558 8.3308 126.0385 55.5701 31.0268 175.2873 47 F 4.8944 8.9707 122.8892 55.9533 43.3985 176.2466 48 K 4.0399 9.1112 121.8411 58.9706 32.4115 177.1303 49 S 5.2398 7.7675 112.4479 55.6814 67.6295 174.7814 50 F 3.9609 8.6997 122.8000 61.4772 39.0179 176.8380 51 D 4.5398 8.3165 118.3735 57.7264 40.8119 178.9632 52 D 4.3779 8.3179 119.0051 57.3379 40.9206 178.5357 53 F 2.7267 7.5182 121.1489 60.7912 39.0398 176.9484 54 R 3.5338 7.9918 118.4087 59.3319 29.9416 177.9693 55 K 4.1402 8.3265 120.4397 58.9013 31.9726 178.3325 56 A 3.8788 7.6091 120.2721 55.0874 18.3943 179.3154 57 V 3.1005 6.9594 116.5581 66.1763 31.3568 178.2280 58 W 4.5469 7.3120 118.0764 59.7958 28.9226 178.3327 59 E 4.1986 8.1268 117.9687 59.6855 28.8520 179.2148 60 E 4.0834 8.2334 116.2833 58.1223 29.6776 179.1297 61 V 3.8475 7.6196 119.3253 65.7766 31.7087 177.9640 62 S 4.3317 8.2416 115.3990 60.9261 62.5223 176.3933 63 K 4.3780 8.1995 120.5739 56.9650 32.0936 176.2519 64 D 4.6882 7.7732 119.9734 52.0598 41.4595 174.9311 65 P 4.2571 0.0000 0.0000 65.8829 31.2407 178.3938 66 E 4.0013 8.2468 115.3569 59.4204 29.3618 179.2436 67 L 4.3789 7.8593 117.9688 57.5997 42.2272 178.7127 68 S 4.7809 7.9184 112.1586 58.4157 63.0844 175.3264 69 K 4.3035 7.7922 120.8991 57.8265 32.0431 177.1363 70 N 4.8150 8.0382 115.1764 53.2154 39.8420 174.9604 71 L 4.4297 7.3046 118.1820 53.4345 42.7760 177.0248 72 N 4.5924 8.5129 120.3096 52.2543 39.2056 174.1635 73 P 4.2281 0.0000 0.0000 65.8773 31.3991 178.8158 74 S 4.0997 8.0417 111.3109 61.5579 62.5753 175.6015 75 N 4.7129 8.6600 118.1090 54.8162 38.3736 177.5822 76 K 3.9715 8.3614 121.0728 59.5920 31.9640 178.9744 77 S 4.1375 7.6321 111.8922 61.9351 62.5525 175.6052 78 S 4.2675 7.7964 116.0516 62.6166 62.6980 177.1176 79 V 3.9965 8.1514 114.3616 63.8194 31.2959 178.0558 80 S 4.6898 7.5168 114.7995 58.7315 62.7438 174.4955 81 K 4.5254 7.8647 120.0071 55.6917 33.5715 176.4979 82 G 3.9058 8.1476 106.1495 46.6715 0.0000 172.9540 83 Y 4.7289 7.6579 116.1181 55.4310 39.7314 175.8447 84 S 2.7900 8.2520 118.9774 57.0785 63.3018 171.9754 85 P 4.4182 0.0000 0.0000 61.9432 33.4810 174.5127 86 F 4.8015 8.3397 119.8877 56.7577 39.4646 176.5608 87 T 3.8006 8.0827 114.7063 60.1947 69.9808 172.6153 88 P 4.3290 0.0000 0.0000 62.3674 31.7497 178.1016 89 K 3.7306 8.5613 123.9779 59.5262 32.4810 176.9498 90 N 4.7061 8.0229 112.9870 53.3529 37.8386 175.0796 91 Q 4.5202 9.0324 118.7773 55.9053 29.5541 174.9210 92 Q 4.7433 7.4495 116.8583 54.1627 30.7114 175.2208 93 V 4.2811 7.9734 120.6221 61.9316 34.1205 176.0707 94 G 3.9793 8.4146 117.8660 47.1471 0.0000 173.1607 95 G 3.9651 8.7548 110.8425 45.4096 0.0000 172.6140 96 R 4.5947 8.3214 120.1006 54.1040 31.9485 176.7371 97 K 4.5497 8.4485 119.6110 55.3427 34.7421 176.0771 98 V 4.4854 7.2242 110.7803 58.8945 34.4014 175.2708 99 Y 4.4435 7.7806 120.5889 58.8173 38.5913 175.7987 100 E 4.8815 9.8446 123.1332 54.7783 32.8051 175.6183 101 L 4.7402 8.8409 123.8028 54.1756 41.8059 174.7845 102 H 4.6937 9.7098 125.1878 54.4216 31.7082 173.8652 103 A 4.0603 8.2654 127.7001 51.7856 17.9362 176.1243 104 D 4.1295 8.8859 121.7538 58.5422 41.1517 176.4973 105 K 4.2567 9.8589 118.4765 54.5623 33.5922 175.3289 106 P 4.5541 0.0000 0.0000 62.5595 31.7309 177.4911 107 I 4.3577 8.4369 120.8739 63.8745 37.2579 178.5413 108 S 4.2700 8.0004 112.9657 60.0134 63.1374 174.4722 109 Q 4.3448 7.7256 118.3829 55.1256 29.3639 175.6090 110 G 4.0837 7.5956 106.1438 45.2051 0.0000 174.0977 111 G 3.8867 8.2363 109.6836 43.8057 0.0000 173.5873 112 E 4.5517 8.4151 123.4570 55.1090 30.9159 177.8164 113 V 3.4127 8.3969 122.1019 65.5069 31.9257 176.6293 114 Y 4.1572 7.7596 117.0752 57.3784 38.7645 174.6906 115 D 4.9424 7.5148 119.7635 53.0470 41.3832 176.4118 116 M 4.4891 8.5196 126.3957 56.6932 32.2679 177.2130 117 D 4.5679 7.9782 118.6795 55.7602 41.8207 176.7006 118 N 4.7425 8.1557 116.1908 53.2213 38.7916 173.3644 119 I 5.0071 7.5880 116.9257 59.4484 39.9467 174.9157 120 R 4.8713 9.4340 126.9413 54.0828 33.6019 175.3708 121 V 4.4337 9.3445 124.5307 63.1407 32.6026 175.0068 122 T 5.3431 9.8339 118.9269 60.0087 72.5227 173.5785 123 T 4.6555 8.3056 112.9325 60.3537 70.5447 173.9262 124 P 4.3648 0.0000 0.0000 65.0825 31.3452 178.4458 125 K 3.7746 8.1050 118.1395 59.7748 31.9555 178.6293 126 R 3.8590 7.7302 118.5111 59.7478 30.1907 177.6481 127 H 4.0212 8.7824 118.3808 59.4766 29.7307 177.1084 128 I 3.7302 8.3124 121.6590 64.5979 36.7465 178.2478 129 D 4.3587 7.8927 118.2876 57.3764 40.7987 178.3290 130 I 3.7748 8.1851 119.7073 64.5387 37.0836 177.3519 131 H 4.4503 7.5762 117.0118 58.6862 30.1691 175.6571 132 R 4.2564 7.9726 122.8637 56.5688 30.0508 176.3566 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 4.40 0.00 1.97 2.05 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 2.48 2.63 0.00 2 E 8.69 4.12 0.00 2.09 1.87 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 2.31 2.31 0.00 3 S 8.37 4.09 0.00 3.83 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 4 K 8.57 4.34 0.00 1.71 1.74 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.39 7.81 5 R 7.79 4.31 0.00 1.85 1.91 0.00 2.91 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 1.51 1.58 0.00 6 N 7.59 4.76 0.00 2.81 2.96 0.00 0.00 6.94 7.49 0.00 0.00 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 K 7.95 4.23 0.00 1.83 1.81 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.65 7.81 8 P 0.00 4.83 0.00 2.05 2.09 0.00 3.79 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 2.11 0.00 9 G 8.40 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 10 K 8.21 5.08 0.00 1.68 1.68 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.40 7.81 11 A 8.69 4.70 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 0.00 0.00 0.00 0.00 0.00 12 T 8.89 4.81 4.27 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 1.24 0.00 0.00 13 G 8.89 4.37 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 0.00 14 K 9.57 4.03 0.00 1.68 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.41 7.81 15 G 9.17 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 16 K 8.37 3.91 0.00 1.83 1.78 0.00 1.67 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.46 7.81 17 P 0.00 5.22 0.00 2.14 2.20 0.00 3.31 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 18 V 8.01 4.57 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 0.80 0.00 0.00 0.74 0.00 0.00 19 G 7.68 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 0.00 0.00 0.00 0.00 20 D 7.93 4.43 0.00 3.02 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 21 K 8.31 4.15 0.00 1.89 1.89 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.64 7.81 22 W 9.09 4.06 0.00 3.62 3.38 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 23 L 7.21 3.32 0.00 1.16 1.31 0.40 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.55 4.40 0.00 2.66 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 25 D 7.91 4.46 0.00 3.00 2.77 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 26 A 7.92 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 27 G 7.91 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 28 K 7.70 4.59 0.00 1.85 1.73 0.00 1.72 0.00 0.00 1.98 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.49 7.81 29 D 8.45 4.28 0.00 2.81 2.62 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 30 S 8.62 4.22 0.00 3.88 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 31 G 7.49 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.74 4.44 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 33 P 0.00 4.75 0.00 2.11 2.11 0.00 3.88 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 34 I 8.18 3.99 1.99 0.00 0.00 0.89 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 0.96 0.86 0.00 0.00 35 P 0.00 4.25 0.00 1.69 1.53 0.00 3.35 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.25 0.00 36 D 8.55 4.40 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 37 R 7.86 3.86 0.00 1.67 1.97 0.00 3.30 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 38 I 7.53 3.68 1.89 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.30 0.70 0.00 0.00 39 A 8.12 4.00 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 40 D 7.88 4.33 0.00 2.64 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 41 K 7.76 4.18 0.00 1.75 1.82 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.73 7.81 42 L 7.41 4.73 0.00 1.61 1.74 0.50 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.82 3.99 0.00 2.00 1.80 0.00 3.33 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 44 D 8.62 4.47 0.00 2.88 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 45 K 7.78 4.04 0.00 1.99 1.39 0.00 1.56 0.00 0.00 1.49 0.00 0.00 2.55 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.47 7.81 46 E 8.33 4.56 0.00 1.81 1.63 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 2.29 2.23 0.00 47 F 8.97 4.89 0.00 2.77 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 48 K 9.11 4.04 0.00 2.22 1.94 0.00 1.54 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.52 7.81 49 S 7.77 5.24 0.00 4.28 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 50 F 8.70 3.96 0.00 2.93 3.01 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 51 D 8.32 4.54 0.00 2.82 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 52 D 8.32 4.38 0.00 3.11 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 53 F 7.52 2.73 0.00 2.48 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 0.00 0.00 0.00 0.00 54 R 7.99 3.53 0.00 1.87 2.18 0.00 3.46 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 55 K 8.33 4.14 0.00 1.99 1.91 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.26 7.81 56 A 7.61 3.88 1.21 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 0.00 0.00 0.00 0.00 0.00 57 V 6.96 3.10 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 0.25 0.00 0.00 0.28 0.00 0.00 58 W 7.31 4.55 0.00 3.46 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 59 E 8.13 4.20 0.00 2.16 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 2.36 2.46 0.00 60 E 8.23 4.08 0.00 1.91 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 0.00 2.41 2.37 0.00 61 V 7.62 3.85 2.56 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 1.42 0.00 0.00 1.06 0.00 0.00 62 S 8.24 4.33 0.00 4.16 4.13 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 0.00 0.00 0.00 0.00 63 K 8.20 4.38 0.00 1.86 1.91 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.45 7.81 64 D 7.77 4.69 0.00 2.82 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 65 P 0.00 4.26 0.00 2.21 2.10 0.00 3.66 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 66 E 8.25 4.00 0.00 2.08 2.03 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 2.32 2.35 0.00 67 L 7.86 4.38 0.00 2.03 1.91 0.59 -0.03 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 68 S 7.92 4.78 0.00 4.17 4.21 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 0.00 0.00 0.00 69 K 7.79 4.30 0.00 1.91 1.94 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.45 7.81 70 N 8.04 4.82 0.00 2.77 2.88 0.00 0.00 7.00 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 71 L 7.30 4.43 0.00 1.83 1.65 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.51 4.59 0.00 3.00 2.97 0.00 0.00 6.21 7.76 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 73 P 0.00 4.23 0.00 2.18 2.18 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 74 S 8.04 4.10 0.00 3.86 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 75 N 8.66 4.71 0.00 2.97 2.88 0.00 0.00 7.10 6.42 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 76 K 8.36 3.97 0.00 2.00 1.91 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.83 7.81 77 S 7.63 4.14 0.00 3.85 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 78 S 7.80 4.27 0.00 4.20 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 79 V 8.15 4.00 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 1.00 0.00 0.00 1.15 0.00 0.00 80 S 7.52 4.69 0.00 4.04 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 81 K 7.86 4.53 0.00 1.93 1.78 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.41 1.63 7.81 82 G 8.15 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 83 Y 7.66 4.73 0.00 2.90 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 84 S 8.25 2.79 0.00 3.79 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 85 P 0.00 4.42 0.00 2.17 2.05 0.00 2.74 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.70 0.00 86 F 8.34 4.80 0.00 2.80 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 3.80 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 0.23 0.00 0.00 88 P 0.00 4.33 0.00 2.37 2.00 0.00 3.58 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 2.12 2.08 0.00 89 K 8.56 3.73 0.00 1.79 1.78 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 90 N 8.02 4.71 0.00 2.86 2.89 0.00 0.00 5.87 7.39 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 91 Q 9.03 4.52 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 92 Q 7.45 4.74 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 93 V 7.97 4.28 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 1.06 0.00 0.00 0.91 0.00 0.00 94 G 8.41 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 95 G 8.75 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 0.00 0.00 0.00 96 R 8.32 4.59 0.00 1.95 1.79 0.00 3.04 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 97 K 8.45 4.55 0.00 1.84 2.04 0.00 1.68 0.00 0.00 2.03 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.70 1.46 7.81 98 V 7.22 4.49 1.77 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 -0.16 0.00 0.00 0.77 0.00 0.00 99 Y 7.78 4.44 0.00 2.97 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 0.00 100 E 9.84 4.88 0.00 2.03 2.00 0.00 0.00 0.00 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 2.51 0.00 101 L 8.84 4.74 0.00 1.88 1.91 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.71 4.69 0.00 2.95 3.23 0.00 5.58 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 0.00 103 A 8.27 4.06 1.05 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 0.00 0.00 104 D 8.89 4.13 0.00 2.67 2.91 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 0.00 105 K 9.86 4.26 0.00 1.73 1.78 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.38 7.81 106 P 0.00 4.55 0.00 2.19 1.94 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 107 I 8.44 4.36 1.79 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 2.04 0.85 0.00 0.00 108 S 8.00 4.27 0.00 3.96 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 Q 7.73 4.34 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 110 G 7.60 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 0.00 0.00 0.00 111 G 8.24 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.42 4.55 0.00 2.04 1.89 0.00 0.00 0.00 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 2.29 0.00 113 V 8.40 3.41 1.80 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 0.22 0.00 0.00 0.86 0.00 0.00 114 Y 7.76 4.16 0.00 3.14 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 0.00 115 D 7.51 4.94 0.00 2.80 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 0.00 116 M 8.52 4.49 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.94 0.00 117 D 7.98 4.57 0.00 2.76 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 0.00 118 N 8.16 4.74 0.00 2.94 2.72 0.00 0.00 6.84 7.90 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 0.00 119 I 7.59 5.01 1.93 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 1.35 0.77 1.04 0.00 0.00 120 R 9.43 4.87 0.00 1.72 1.85 0.00 3.31 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.88 0.00 121 V 9.34 4.43 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 0.99 0.00 0.00 1.10 0.00 0.00 122 T 9.83 5.34 4.30 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 1.23 0.00 0.00 123 T 8.31 4.66 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 1.42 0.00 0.00 124 P 0.00 4.36 0.00 2.24 2.13 0.00 3.97 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 125 K 8.11 3.77 0.00 1.81 2.02 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 126 R 7.73 3.86 0.00 2.05 2.09 0.00 3.23 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 1.85 1.69 0.00 127 H 8.78 4.02 0.00 3.19 3.40 0.00 5.66 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 0.00 128 I 8.31 3.73 2.07 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.72 0.90 0.00 0.00 129 D 7.89 4.36 0.00 2.67 2.73 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 0.00 130 I 8.19 3.77 1.92 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 1.40 0.46 0.86 0.00 0.00 131 H 7.58 4.45 0.00 3.38 3.49 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 0.00 132 R 7.97 4.26 0.00 1.84 1.85 0.00 3.25 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00