NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3958 8.3193 115.2917 58.5029 63.6337 173.7291 3 D 4.6472 8.3797 125.8062 53.2964 39.6437 176.9407 4 T 3.7281 8.0309 121.4375 67.0556 68.8706 177.4667 5 A 4.1507 8.0217 122.1431 55.0806 18.3500 179.5656 6 L 3.9327 7.8290 116.9669 57.9554 41.8521 179.4520 7 I 3.6280 7.7195 119.6470 64.6671 37.0515 178.6685 8 F 4.6990 7.9449 118.2772 60.6913 38.5229 178.0565 9 T 4.0532 8.1207 115.8386 66.4640 68.2676 176.5512 10 L 3.9917 8.4103 122.4405 57.9999 42.1733 178.6800 11 A 4.0449 8.6604 121.1254 55.2076 18.1535 179.4309 12 W 4.5601 8.3749 125.4415 60.4452 30.7564 177.5076 13 N 4.2634 7.7956 116.3815 56.4891 38.7428 176.9084 14 V 3.8738 8.1878 111.0948 60.8676 32.0979 177.0708 15 K 4.4681 8.6349 123.3673 56.3433 31.0535 176.2795 16 Q 4.5966 7.5067 113.3679 54.3852 31.4934 173.8346 17 L 4.4669 8.1369 120.2693 54.0668 45.0620 174.1203 18 A 4.5167 8.4427 127.5691 50.4356 21.8558 175.2504 19 F 5.0287 7.8012 116.5911 55.6871 41.1857 174.2365 20 D 4.5884 9.3810 122.1773 54.3172 42.2170 174.8282 21 Y 4.4216 8.5776 125.5814 57.7798 38.5115 176.3663 22 T 4.1096 8.3919 118.3829 62.7070 68.4480 172.8297 23 P 3.9277 0.0000 0.0000 62.9012 32.0461 175.6574 24 N 4.7091 8.4165 124.1564 51.5059 39.7389 172.9936 25 W 4.6977 8.7268 126.0982 56.1599 30.2577 175.9170 26 G 4.1737 9.1227 112.5541 44.6508 0.0000 172.6793 27 R 4.9639 8.6848 123.4583 53.9144 31.7892 176.4296 28 G 4.2742 9.1185 108.4100 46.4877 0.0000 176.2467 29 R 4.6001 8.5938 125.6527 53.1025 32.9175 173.2988 30 P 4.5219 0.0000 0.0000 61.8718 32.3288 177.1212 31 S 4.3704 8.4513 112.3920 60.8356 63.0367 175.2149 32 S 4.4141 8.1581 114.7105 59.2236 63.6028 172.9314 33 F 5.1087 8.2531 121.5569 56.2314 41.1567 174.6802 34 I 4.7589 8.7536 125.0820 60.1409 38.2323 175.8271 35 D 5.3321 9.3280 126.2751 53.7760 41.9477 175.6261 36 T 4.4880 7.6695 108.4868 60.4761 72.6989 172.7023 37 V 4.4726 7.6136 120.4836 60.2419 34.9859 174.2284 38 T 4.5969 8.2057 119.7678 61.5547 72.6068 172.6764 39 F 5.0101 8.3915 124.2327 55.2089 40.7047 174.7501 40 P 4.1167 0.0000 0.0000 65.6373 31.5252 175.9639 41 T 4.7890 7.9176 116.7670 62.2510 71.4827 174.0606 42 V 4.0130 8.1499 119.9297 59.4019 33.6387 176.3261 43 L 4.4941 8.8236 122.8049 55.1060 42.1202 177.5251 44 T 4.7813 8.4545 109.3530 61.2628 69.8935 174.5468 45 D 4.5138 8.3636 121.8233 55.5053 39.8599 175.7265 46 K 4.3626 7.2676 117.1573 54.6670 36.5101 176.5667 47 A 4.2876 7.8051 124.1902 51.0722 16.9827 176.8622 48 Y 4.5866 7.2426 119.1999 57.7365 39.3920 176.3815 49 T 5.2576 8.1728 110.2104 59.1013 73.1193 171.9980 50 Y 5.4971 8.5959 117.8461 56.3146 42.1658 174.5540 51 R 5.2621 9.3799 123.3256 54.6893 33.2842 174.6034 52 V 4.9546 8.5187 124.8339 61.0645 34.7731 174.2067 53 V 4.9326 8.9742 127.1200 61.0773 34.6526 174.0663 54 V 4.5962 8.6468 127.6858 61.4685 33.9828 175.7500 55 S 3.7780 9.2445 125.5640 58.4367 60.8592 173.6134 56 G 3.9204 8.3154 106.7831 45.1994 0.0000 173.3310 57 K 4.2582 8.0865 122.5533 54.6029 32.8180 174.9170 58 D 4.7131 8.6449 126.6905 54.2758 41.1517 175.6646 59 L 4.2969 9.0475 127.2060 55.0325 42.4793 177.9529 60 G 3.8734 8.5700 106.9729 44.1047 0.0000 172.1745 61 V 5.1020 7.9403 117.0300 60.6192 34.2103 175.9973 62 R 4.7918 8.3423 122.7259 53.3786 34.3677 173.0909 63 P 4.5051 0.0000 0.0000 63.1380 32.1568 176.4957 64 S 4.5920 8.7157 117.7744 58.4875 63.7537 173.8166 65 Y 4.8661 8.4196 120.8344 57.2880 38.6250 175.4138 66 A 4.2517 8.2438 123.9565 51.9583 19.1373 177.4586 67 V 4.0387 8.1723 120.2323 62.1946 32.1940 176.3014 68 E 4.3878 8.9879 127.8417 55.2923 30.3461 177.8246 69 S 4.2280 8.6752 114.8622 61.7379 62.6891 175.1777 70 D 4.4815 8.0384 117.1241 53.3155 39.4619 177.0322 71 G 3.9224 8.7537 109.6031 45.6079 0.0000 173.6628 72 S 5.1097 8.5520 115.1286 56.9141 65.4872 173.0130 73 Q 4.7927 8.8274 121.0488 54.4633 32.4099 173.3084 74 K 4.7172 8.8098 126.7605 54.5967 35.0762 174.9675 75 I 3.9551 8.0593 127.0859 59.3355 39.9264 174.1973 76 N 4.3291 7.9179 126.8026 52.0863 39.2439 175.5847 77 F 4.6473 8.5406 127.1898 60.4253 38.9253 177.5928 78 L 4.2621 8.2938 118.9584 57.9130 41.1428 179.2020 79 E 4.0580 8.3245 117.5275 58.6844 29.4290 177.8553 80 Y 4.5051 8.1736 114.8870 58.2149 39.7734 175.8953 81 N 5.0367 8.7341 118.9765 53.3616 39.8541 174.7032 82 S 3.7931 9.3427 109.9895 59.4152 60.6477 173.7139 83 G 3.7282 8.5760 107.4394 45.3394 0.0000 173.6807 84 Y 4.9179 7.3493 116.0979 55.7917 40.6050 175.9155 85 G 4.2882 8.8889 109.6387 46.0917 0.0000 172.2362 86 I 4.3018 8.5953 120.1026 58.6138 39.8459 175.7662 87 A 3.4573 7.5853 128.8643 51.9427 18.9078 177.5222 88 D 4.4175 8.9246 121.8992 54.9177 39.0461 177.5108 89 T 4.2126 7.7907 109.2606 63.3949 69.6427 174.9378 90 N 4.6006 7.9779 119.9518 53.0740 38.9839 174.1749 91 T 4.7648 7.7802 110.3731 60.7796 71.2676 173.7438 92 I 4.9716 8.7151 124.3169 59.6766 41.1258 174.2826 93 Q 5.1075 9.2957 125.5025 54.0062 32.3244 174.5173 94 V 4.8784 8.8070 123.5725 61.2951 34.5123 173.6615 95 Y 5.3539 9.3056 125.6640 56.1823 41.0686 175.2327 96 V 4.5769 9.0659 123.6720 60.8166 34.1421 174.8186 97 I 4.9682 8.5865 123.7066 59.5782 40.2728 174.2019 98 D 4.9087 9.0348 127.7903 52.9105 41.2794 175.2700 99 P 4.0570 0.0000 0.0000 65.7291 31.4784 177.5019 100 D 4.5310 8.3063 118.8248 56.3614 40.8870 177.1351 101 T 4.3769 8.0593 106.5100 60.5549 70.6966 175.0410 102 G 3.9328 9.0249 109.6962 44.8684 0.0000 173.1504 103 N 4.3229 8.0403 117.7650 53.2626 39.7563 173.6193 104 N 5.3613 8.1116 119.4240 51.4628 41.0605 174.0308 105 F 4.9899 8.9893 122.2138 55.2223 42.4360 174.5223 106 I 3.8142 8.8337 124.5274 61.4699 37.8945 175.6853 107 V 4.3778 8.7330 120.6031 60.8828 33.9187 175.5914 108 A 4.8609 7.6814 120.9387 50.9167 22.6513 175.1121 109 Q 5.0388 9.0980 122.4164 54.5735 32.2808 173.4254 110 W 4.2561 9.4487 135.0000 55.4096 32.7127 175.5161 111 N 4.2750 7.2859 124.3543 53.6880 38.7461 173.5447 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 2 S 8.32 4.40 0.00 3.86 3.85 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 3 D 8.38 4.65 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 4 T 8.03 3.73 4.31 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 1.40 0.00 0.00 5 A 8.02 4.15 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 6 L 7.83 3.93 0.00 1.82 1.73 0.91 0.83 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 7 I 7.72 3.63 1.59 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 1.71 0.69 0.62 0.00 0.00 8 F 7.94 4.70 0.00 3.15 3.05 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 9 T 8.12 4.05 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 1.30 0.00 0.00 10 L 8.41 3.99 0.00 1.92 1.90 0.94 1.29 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 11 A 8.66 4.04 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 0.00 0.00 12 W 8.37 4.56 0.00 3.39 3.37 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 13 N 7.80 4.26 0.00 2.75 2.96 0.00 0.00 7.21 7.83 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 14 V 8.19 3.87 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 0.82 0.00 0.00 1.02 0.00 0.00 15 K 8.63 4.47 0.00 1.83 1.97 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.56 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.20 1.39 7.81 16 Q 7.51 4.60 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 17 L 8.14 4.47 0.00 1.61 1.56 1.05 1.14 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 18 A 8.44 4.52 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 19 F 7.80 5.03 0.00 3.24 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 20 D 9.38 4.59 0.00 2.59 2.61 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 21 Y 8.58 4.42 0.00 2.86 2.61 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 22 T 8.39 4.11 4.33 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 1.28 0.00 0.00 23 P 0.00 3.93 0.00 1.24 1.89 0.00 3.87 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 24 N 8.42 4.71 0.00 2.78 2.72 0.00 0.00 6.81 7.55 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 25 W 8.73 4.70 0.00 3.22 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 26 G 9.12 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 0.00 0.00 0.00 27 R 8.68 4.96 0.00 1.72 1.98 0.00 3.20 0.00 0.00 3.47 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 28 G 9.12 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 0.00 0.00 0.00 0.00 29 R 8.59 4.60 0.00 1.71 1.76 0.00 3.20 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 30 P 0.00 4.52 0.00 2.17 2.09 0.00 2.53 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.69 0.00 31 S 8.45 4.37 0.00 4.02 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 0.00 32 S 8.16 4.41 0.00 4.13 4.22 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 5.11 0.00 3.18 3.03 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 34 I 8.75 4.76 1.51 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.26 1.02 0.00 0.00 35 D 9.33 5.33 0.00 2.77 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 36 T 7.67 4.49 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 1.10 0.00 0.00 37 V 7.61 4.47 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 0.12 0.00 0.00 -0.49 0.00 0.00 38 T 8.21 4.60 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 1.12 0.00 0.00 39 F 8.39 5.01 0.00 2.74 2.43 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 40 P 0.00 4.12 0.00 2.15 2.09 0.00 3.80 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 41 T 7.92 4.79 4.33 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 1.27 0.00 0.00 42 V 8.15 4.01 2.19 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 0.57 0.00 0.00 1.05 0.00 0.00 43 L 8.82 4.49 0.00 1.57 1.97 0.70 1.14 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 44 T 8.45 4.78 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 1.33 0.00 0.00 45 D 8.36 4.51 0.00 2.83 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 46 K 7.27 4.36 0.00 0.79 1.16 0.00 1.60 0.00 0.00 1.56 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.17 1.25 7.81 47 A 7.81 4.29 1.18 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 0.00 0.00 0.00 48 Y 7.24 4.59 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 49 T 8.17 5.26 4.31 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 1.24 0.00 0.00 50 Y 8.60 5.50 0.00 3.05 2.95 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 51 R 9.38 5.26 0.00 2.00 1.95 0.00 3.21 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 52 V 8.52 4.95 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 0.69 0.00 0.00 0.33 0.00 0.00 53 V 8.97 4.93 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 1.10 0.00 0.00 1.10 0.00 0.00 54 V 8.65 4.60 2.04 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 0.84 0.00 0.00 0.79 0.00 0.00 55 S 9.24 3.78 0.00 3.96 3.85 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 56 G 8.32 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 57 K 8.09 4.26 0.00 1.76 1.83 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.38 7.81 58 D 8.64 4.71 0.00 2.67 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 59 L 9.05 4.30 0.00 1.95 2.06 1.04 1.02 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 60 G 8.57 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 61 V 7.94 5.10 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 1.17 0.00 0.00 1.03 0.00 0.00 62 R 8.34 4.79 0.00 1.07 1.46 0.00 3.20 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 63 P 0.00 4.51 0.00 2.14 2.09 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 64 S 8.72 4.59 0.00 4.06 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 65 Y 8.42 4.87 0.00 3.04 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 66 A 8.24 4.25 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 67 V 8.17 4.04 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 0.93 0.00 0.00 1.05 0.00 0.00 68 E 8.99 4.39 0.00 2.26 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 2.35 2.40 0.00 69 S 8.68 4.23 0.00 3.97 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 70 D 8.04 4.48 0.00 2.78 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 71 G 8.75 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 72 S 8.55 5.11 0.00 3.93 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 0.00 73 Q 8.83 4.79 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 74 K 8.81 4.72 0.00 1.70 1.70 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.14 1.31 7.81 75 I 8.06 3.96 1.18 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 -0.03 0.49 0.00 0.00 76 N 7.92 4.33 0.00 2.67 2.44 0.00 0.00 7.18 7.71 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 77 F 8.54 4.65 0.00 3.25 2.99 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 78 L 8.29 4.26 0.00 2.02 1.76 1.09 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.32 4.06 0.00 2.06 1.93 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 2.42 2.50 0.00 80 Y 8.17 4.51 0.00 3.13 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 81 N 8.73 5.04 0.00 2.93 3.14 0.00 0.00 7.08 7.53 0.00 0.00 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 9.34 3.79 0.00 4.25 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 83 G 8.58 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 84 Y 7.35 4.92 0.00 3.15 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 85 G 8.89 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 0.00 0.00 0.00 0.00 86 I 8.60 4.30 1.54 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 0.86 0.72 0.67 0.00 0.00 87 A 7.59 3.46 0.98 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 88 D 8.92 4.42 0.00 2.70 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 89 T 7.79 4.21 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 1.22 0.00 0.00 90 N 7.98 4.60 0.00 2.67 2.70 0.00 0.00 6.93 8.28 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 91 T 7.78 4.76 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 1.18 0.00 0.00 92 I 8.72 4.97 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.29 0.60 0.00 0.00 93 Q 9.30 5.11 0.00 2.07 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 94 V 8.81 4.88 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 1.18 0.00 0.00 1.15 0.00 0.00 95 Y 9.31 5.35 0.00 2.97 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 96 V 9.07 4.58 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 0.61 0.00 0.00 0.51 0.00 0.00 97 I 8.59 4.97 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.34 0.93 0.00 0.00 98 D 9.03 4.91 0.00 3.16 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 99 P 0.00 4.06 0.00 2.15 2.11 0.00 3.77 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 1.86 1.74 0.00 100 D 8.31 4.53 0.00 2.86 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 0.00 101 T 8.06 4.38 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 1.25 0.00 0.00 102 G 9.02 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 0.00 103 N 8.04 4.32 0.00 2.66 2.07 0.00 0.00 6.83 7.08 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 0.00 104 N 8.11 5.36 0.00 2.26 2.48 0.00 0.00 6.77 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 0.00 105 F 8.99 4.99 0.00 2.84 2.80 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 0.00 0.00 0.00 0.00 106 I 8.83 3.81 1.82 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.48 0.93 0.00 0.00 107 V 8.73 4.38 1.55 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 0.32 0.00 0.00 1.11 0.00 0.00 108 A 7.68 4.86 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 0.00 109 Q 9.10 5.04 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 110 W 9.45 4.26 0.00 1.78 2.37 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 0.00 111 N 7.29 4.28 0.00 2.48 2.31 0.00 0.00 7.04 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