NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2959 8.4293 118.7934 55.3656 31.5902 175.5690 4 E 3.8813 7.9878 119.1898 54.5613 30.0227 174.5390 5 K 4.5249 8.9678 122.1415 56.5049 36.1968 176.4848 6 R 4.6433 7.9676 116.2283 55.5471 30.7343 175.9412 7 S 4.6082 7.7682 108.7073 58.6620 64.8558 174.4659 8 S 4.5862 8.5553 114.5007 58.8067 68.5737 174.2107 9 T 4.5013 7.9136 109.0504 59.0619 71.1659 170.9780 10 G 3.9106 8.3734 106.0834 43.9568 0.0000 173.2281 11 F 5.0057 8.7947 128.0936 58.8900 38.9062 177.5395 12 L 4.1579 8.6125 116.7702 53.9667 39.9554 179.5397 13 V 4.2741 8.2492 120.9483 60.0320 34.1693 174.1194 14 K 4.1713 8.4610 123.4328 56.0775 34.0172 177.8307 15 Q 3.9784 8.6175 122.3633 59.4063 28.9529 178.8839 16 R 4.3479 8.3882 117.7332 58.8776 29.4499 178.4666 17 A 4.7755 8.0827 122.4359 54.4021 17.9407 179.1914 18 F 4.1954 8.3044 118.7146 61.5402 39.4334 177.4158 19 L 4.3362 8.5275 118.7108 57.6493 41.5001 179.4549 20 K 3.9117 8.5326 118.8551 59.1645 31.9205 178.9652 21 L 4.0781 8.0965 120.5018 58.5401 42.0637 178.6538 22 Y 3.7941 7.6852 115.6598 61.3003 37.7924 178.5530 23 M 4.0419 8.3221 119.5611 58.5892 32.0857 178.8509 24 I 3.8267 7.8025 119.7614 64.9155 37.1709 178.7110 25 T 4.3068 7.9578 117.8098 66.2443 68.1468 176.8761 26 M 4.0807 8.5496 121.1977 58.4618 31.9199 178.9311 27 T 3.6576 8.0253 116.2612 66.3790 68.4245 176.5857 28 E 4.1360 8.3458 120.5938 59.1044 29.2168 178.4345 29 Q 4.5047 7.4987 115.3537 54.7170 29.1380 175.2823 30 E 3.7338 8.0639 118.2668 57.6693 27.3499 174.6707 31 R 4.0857 8.0870 112.2339 55.8741 30.8852 175.8709 32 L 4.3051 7.6143 124.0177 54.9770 40.3367 173.5795 33 Y 4.8840 7.7816 121.1876 56.2599 39.4927 176.7533 34 G 3.8987 9.2181 112.3582 47.4980 0.0000 173.6204 35 L 4.6195 7.3040 120.2723 54.1881 43.2616 176.3180 36 K 4.1035 8.4580 119.4668 56.8723 29.8261 178.0234 37 L 3.9821 7.9852 120.2275 58.2496 42.4684 177.0283 38 L 3.9183 7.8825 119.6958 58.2293 41.6151 178.5023 39 E 4.2896 8.0627 117.7524 58.5680 29.3420 179.1551 40 V 3.6199 7.3596 118.0536 65.7268 31.9478 177.6812 41 L 3.9400 8.1144 119.0387 58.0277 41.4729 179.6225 42 R 3.8784 8.3597 118.1213 59.5634 29.7990 179.1629 43 S 4.0566 7.5877 111.7199 60.9864 62.3693 175.7789 44 E 3.8605 7.6416 120.9613 59.0550 29.4304 178.5133 45 F 4.5430 8.2481 116.4282 59.0828 39.2246 180.6822 46 K 4.2755 8.3193 117.8517 58.9045 34.4703 176.3093 47 E 3.8647 8.1116 118.6039 59.4016 29.8150 178.1911 48 I 3.7758 7.6745 118.2850 63.0703 37.2271 177.1991 49 G 3.9633 7.9511 107.6663 45.3533 0.0000 172.6611 50 F 4.7721 8.1907 121.7081 56.0467 39.9244 175.2572 51 K 4.0732 8.3250 130.6073 53.6710 31.3892 173.6432 52 P 3.6218 0.0000 0.0000 62.4236 31.7885 176.2614 53 N 4.3991 8.6314 122.2726 53.7183 39.6877 175.1560 54 H 4.1381 9.0331 125.0549 59.3438 30.3625 177.0035 55 T 4.2954 8.0556 108.1430 63.1779 69.8421 176.3900 56 E 3.9837 8.3149 123.1835 59.2198 29.5886 178.4504 57 V 3.6303 8.0899 118.5385 66.0875 31.6567 177.3609 58 Y 3.8439 7.8710 119.2499 60.8068 38.7140 178.2819 59 R 4.0108 8.3283 119.0140 59.4584 30.2667 179.3054 60 S 4.1459 8.1834 114.9793 61.3459 62.8605 176.4482 61 L 3.7440 7.5558 123.1257 58.4783 41.7670 178.6166 62 H 4.1927 7.8673 114.6820 57.7870 28.7053 177.6134 63 E 3.9715 8.1575 121.2300 59.2946 29.3049 179.0779 64 L 3.9674 7.8921 119.0419 57.5141 41.5148 179.6822 65 L 3.9172 7.7546 118.8403 58.0739 41.4774 179.2336 66 D 4.3833 8.0949 117.5894 57.3447 40.8488 178.0242 67 D 4.6376 8.0829 117.1761 54.5918 40.7078 177.1926 68 G 3.9385 8.1995 108.5151 46.0305 0.0000 175.3737 69 I 4.2719 7.7665 122.3840 62.6936 38.4756 175.7810 70 L 5.4544 7.9375 119.7927 52.7377 44.8168 176.3011 71 K 4.7235 9.2021 119.0066 55.3911 36.4461 174.7646 72 Q 4.4454 8.6508 123.2053 54.9120 30.3189 174.4725 73 I 4.3513 8.5674 127.5143 59.5788 40.0174 175.0234 74 K 4.5213 8.4854 126.4224 54.4887 32.4347 174.2177 75 V 3.7677 9.0195 124.6331 62.1828 32.6162 174.2982 76 K 4.7504 8.5938 130.3177 55.3297 32.9926 175.6219 77 K 4.6572 8.5666 127.0403 54.4858 34.6064 175.4757 78 E 4.1800 8.8066 125.2692 56.2812 30.5846 176.7271 79 G 4.0137 8.8205 112.7619 45.9488 0.0000 173.1410 80 A 4.4910 7.1102 121.7507 50.4312 20.1693 178.5031 81 K 4.0474 8.6881 119.3402 59.1030 32.2783 177.7646 82 L 4.6207 7.4593 116.8061 53.0571 43.3848 176.5551 83 Q 4.1619 8.5129 123.7050 58.5264 30.4522 175.0811 84 E 4.9780 7.9352 119.5147 54.9448 32.7195 174.2600 85 V 4.2236 9.1535 128.5560 61.1989 33.6219 174.6066 86 V 4.5684 8.3174 129.0747 62.2038 32.7915 174.6466 87 L 5.1341 8.9349 127.5804 54.2698 44.4309 174.6295 88 Y 4.9775 8.2074 116.4765 56.4698 40.4020 175.3257 89 Q 4.4429 8.7641 120.3963 53.7815 33.9838 174.3824 90 F 4.8617 8.4556 119.5036 58.0802 39.0570 175.0876 91 K 4.3447 9.2172 124.5495 57.4958 34.1268 175.7037 92 D 4.7100 7.9026 121.0862 51.8786 41.8105 174.7191 93 Y 3.9840 8.2862 126.8243 59.4999 39.0220 176.5627 94 E 3.6968 8.1495 119.2700 59.1511 29.5172 178.7887 95 A 3.9524 8.1692 120.4509 54.8546 18.4331 179.3537 96 A 3.9344 7.7520 119.1280 55.5266 18.5321 180.1451 97 K 3.7865 7.7502 116.8998 59.0386 31.9944 179.4722 98 L 3.8660 7.7265 120.7496 58.1745 42.0349 178.1451 99 Y 3.9527 8.2706 119.7602 60.8484 38.7271 178.0371 100 K 3.8752 8.1641 119.2495 59.7761 31.8389 179.1075 101 K 3.9193 7.8718 118.9283 59.5985 31.6043 178.9866 102 Q 4.0186 8.0879 118.2904 58.7265 28.5382 178.6813 103 L 3.9149 7.8454 120.3175 57.2338 41.6090 179.0922 104 K 3.8365 8.0752 119.8171 59.5064 32.0391 179.0114 105 V 3.5261 7.3782 117.0560 66.0881 31.4457 177.9092 106 E 3.9530 7.7716 117.4003 59.3937 29.2197 179.3881 107 L 4.0234 8.0494 119.0486 57.8069 41.7721 179.2667 108 D 4.3251 8.0711 118.9176 57.3343 40.7448 178.8228 109 R 3.8836 7.9984 119.2009 59.5502 30.0700 178.2793 110 C 3.9824 8.3943 116.9711 62.7204 28.2411 175.9968 111 K 3.9148 8.2043 121.1981 59.5131 31.7207 179.0329 112 K 4.0165 7.9845 118.5018 59.1564 31.9407 179.1333 113 L 3.9611 8.0412 120.7149 58.3443 42.0820 179.2052 114 I 3.7616 7.7540 119.7537 64.3361 37.1010 178.3374 115 E 4.0366 8.1868 119.3649 58.8912 29.2009 179.1760 116 K 3.9031 8.2781 119.6152 59.5854 31.8544 178.6066 117 A 4.0200 8.1610 121.0202 55.3610 17.9156 179.6578 118 L 4.2584 8.0544 117.6192 57.8951 41.4943 179.7329 119 S 4.1192 7.8845 112.9118 61.2723 63.2983 176.0015 120 D 4.4758 8.4001 122.0997 56.2941 40.6564 176.7669 121 N 4.6108 7.6838 113.3369 52.8243 40.2472 174.7556 122 F 4.4114 7.5693 121.4844 57.5713 39.9668 174.4209 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 3 E 8.43 4.30 0.00 2.05 2.12 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 2.16 2.35 0.00 4 E 7.99 3.88 0.00 2.16 1.99 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 2.25 2.28 0.00 5 K 8.97 4.52 0.00 1.83 1.87 0.00 1.46 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.76 7.81 6 R 7.97 4.64 0.00 1.76 1.92 0.00 3.40 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 7 S 7.77 4.61 0.00 3.88 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 8 S 8.56 4.59 0.00 3.79 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 9 T 7.91 4.50 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 1.21 0.00 0.00 10 G 8.37 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 11 F 8.79 5.01 0.00 2.91 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 0.00 0.00 0.00 0.00 12 L 8.61 4.16 0.00 1.27 0.67 0.53 0.37 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 13 V 8.25 4.27 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 0.67 0.00 0.00 0.95 0.00 0.00 14 K 8.46 4.17 0.00 1.88 1.82 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.53 7.81 15 Q 8.62 3.98 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.97 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 16 R 8.39 4.35 0.00 2.13 2.26 0.00 3.41 0.00 0.00 3.63 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 17 A 8.08 4.78 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.30 4.20 0.00 3.23 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 19 L 8.53 4.34 0.00 2.03 1.83 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.53 3.91 0.00 2.13 1.52 0.00 1.76 0.00 0.00 1.33 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.62 7.81 21 L 8.10 4.08 0.00 2.01 1.83 0.94 0.78 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 22 Y 7.69 3.79 0.00 3.25 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 23 M 8.32 4.04 0.00 1.95 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 24 I 7.80 3.83 2.11 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 1.69 0.75 1.18 0.00 0.00 25 T 7.96 4.31 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 26 M 8.55 4.08 0.00 1.94 2.22 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 2.81 2.59 0.00 27 T 8.03 3.66 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 0.08 0.00 0.00 28 E 8.35 4.14 0.00 2.26 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 0.00 2.65 2.95 0.00 29 Q 7.50 4.50 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 30 E 8.06 3.73 0.00 2.08 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 2.17 2.17 0.00 31 R 8.09 4.09 0.00 1.66 1.86 0.00 3.05 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 32 L 7.61 4.31 0.00 1.58 1.53 0.69 0.82 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 33 Y 7.78 4.88 0.00 3.00 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 34 G 9.22 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 0.00 0.00 0.00 35 L 7.30 4.62 0.00 1.82 1.62 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.46 4.10 0.00 1.97 1.89 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.31 7.81 37 L 7.99 3.98 0.00 1.95 1.67 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.88 3.92 0.00 1.74 1.59 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.06 4.29 0.00 2.09 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 2.38 2.39 0.00 40 V 7.36 3.62 2.26 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 0.80 0.00 0.00 1.03 0.00 0.00 41 L 8.11 3.94 0.00 1.98 1.70 0.89 0.86 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 42 R 8.36 3.88 0.00 1.81 1.94 0.00 3.06 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 43 S 7.59 4.06 0.00 3.83 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 44 E 7.64 3.86 0.00 1.53 1.12 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 2.21 2.18 0.00 45 F 8.25 4.54 0.00 3.26 3.21 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 46 K 8.32 4.28 0.00 1.97 2.20 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.41 7.81 47 E 8.11 3.86 0.00 1.99 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 2.32 2.30 0.00 48 I 7.67 3.78 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.96 0.00 0.00 49 G 7.95 3.96 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 0.00 0.00 0.00 50 F 8.19 4.77 0.00 2.72 2.90 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 51 K 8.33 4.07 0.00 1.70 1.68 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.37 7.81 52 P 0.00 3.62 0.00 1.95 1.90 0.00 3.53 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.63 0.00 53 N 8.63 4.40 0.00 2.78 2.73 0.00 0.00 6.45 8.17 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 54 H 9.03 4.14 0.00 3.22 3.26 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.06 4.30 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 1.18 0.00 0.00 56 E 8.31 3.98 0.00 2.17 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 2.47 2.51 0.00 57 V 8.09 3.63 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 0.95 0.00 0.00 0.99 0.00 0.00 58 Y 7.87 3.84 0.00 3.14 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 59 R 8.33 4.01 0.00 2.11 2.03 0.00 3.25 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.92 0.00 60 S 8.18 4.15 0.00 3.90 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 61 L 7.56 3.74 0.00 1.55 1.59 0.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 62 H 7.87 4.19 0.00 3.07 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.16 3.97 0.00 2.18 1.99 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 2.35 2.63 0.00 64 L 7.89 3.97 0.00 1.78 1.63 0.78 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.75 3.92 0.00 1.79 1.66 0.73 1.17 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 66 D 8.09 4.38 0.00 2.68 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 67 D 8.08 4.64 0.00 2.74 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 68 G 8.20 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 69 I 7.77 4.27 2.03 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 1.37 0.73 1.05 0.00 0.00 70 L 7.94 5.45 0.00 1.52 1.61 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 71 K 9.20 4.72 0.00 1.71 1.86 0.00 1.30 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.35 7.81 72 Q 8.65 4.45 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.70 0.00 0.00 0.00 0.00 0.00 2.07 1.83 0.00 73 I 8.57 4.35 1.85 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 1.17 0.42 0.86 0.00 0.00 74 K 8.49 4.52 0.00 1.57 1.85 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.34 7.81 75 V 9.02 3.77 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 0.88 0.00 0.00 0.91 0.00 0.00 76 K 8.59 4.75 0.00 1.79 1.68 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.53 7.81 77 K 8.57 4.66 0.00 1.63 1.64 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.46 7.81 78 E 8.81 4.18 0.00 1.98 1.79 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 2.33 2.29 0.00 79 G 8.82 4.01 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 0.00 0.00 0.00 80 A 7.11 4.49 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 81 K 8.69 4.05 0.00 1.71 1.86 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.38 7.81 82 L 7.46 4.62 0.00 1.55 1.54 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.51 4.16 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 84 E 7.94 4.98 0.00 1.95 1.75 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 2.17 2.29 0.00 85 V 9.15 4.22 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 0.70 0.00 0.00 0.86 0.00 0.00 86 V 8.32 4.57 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 0.70 0.00 0.00 0.89 0.00 0.00 87 L 8.93 5.13 0.00 1.65 1.88 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.21 4.98 0.00 2.76 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 89 Q 8.76 4.44 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 90 F 8.46 4.86 0.00 2.89 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 91 K 9.22 4.34 0.00 1.79 2.06 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.39 7.81 92 D 7.90 4.71 0.00 2.91 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.29 3.98 0.00 2.76 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 94 E 8.15 3.70 0.00 2.12 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 2.27 0.00 95 A 8.17 3.95 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.75 3.93 1.17 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 0.00 0.00 97 K 7.75 3.79 0.00 1.42 1.61 0.00 1.41 0.00 0.00 1.11 0.00 0.00 2.61 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.89 0.21 7.81 98 L 7.73 3.87 0.00 1.96 1.75 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.27 3.95 0.00 3.10 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 0.00 100 K 8.16 3.88 0.00 2.02 1.86 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 101 K 7.87 3.92 0.00 1.94 1.74 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.57 7.81 102 Q 8.09 4.02 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.53 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 103 L 7.85 3.91 0.00 1.71 1.61 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.08 3.84 0.00 1.82 1.96 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.47 7.81 105 V 7.38 3.53 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 0.95 0.00 0.00 0.94 0.00 0.00 106 E 7.77 3.95 0.00 2.01 1.94 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 2.48 2.41 0.00 107 L 8.05 4.02 0.00 1.84 1.72 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.07 4.33 0.00 2.86 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 0.00 109 R 8.00 3.88 0.00 1.87 2.05 0.00 3.11 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 110 C 8.39 3.98 0.00 3.11 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 0.00 111 K 8.20 3.91 0.00 1.90 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 112 K 7.98 4.02 0.00 2.16 1.83 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.48 7.81 113 L 8.04 3.96 0.00 1.91 1.60 0.98 0.96 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 0.00 114 I 7.75 3.76 1.85 0.00 0.00 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 1.70 0.93 0.90 0.00 0.00 115 E 8.19 4.04 0.00 2.06 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 2.33 2.55 0.00 116 K 8.28 3.90 0.00 1.84 2.05 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.57 7.81 117 A 8.16 4.02 1.47 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 0.00 0.00 118 L 8.05 4.26 0.00 2.00 1.80 0.92 0.81 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 0.00 119 S 7.88 4.12 0.00 4.09 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 0.00 120 D 8.40 4.48 0.00 2.73 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 0.00 121 N 7.68 4.61 0.00 2.39 2.08 0.00 0.00 6.76 7.56 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 0.00 122 F 7.57 4.41 0.00 3.18 2.88 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