NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1132 8.0431 114.0565 61.3335 32.9162 173.9866 2 G 3.6544 8.2214 107.4680 45.6170 0.0000 173.2973 3 S 3.9852 8.6491 110.5396 58.2234 62.0515 168.4452 4 E 4.7171 7.7334 117.0668 54.3431 32.5676 174.6655 5 V 4.4676 8.2996 117.7290 59.4809 34.2606 175.1058 6 S 4.7572 8.6129 118.4510 56.1794 65.0645 173.8327 7 D 4.4718 8.7824 126.4272 57.3658 40.5434 177.7802 8 K 4.0070 7.2724 118.3246 58.5115 32.3819 176.9747 9 R 5.1163 7.4082 115.6982 56.2129 34.2342 173.9405 10 T 4.7439 8.6845 120.4864 61.9962 71.4628 174.0634 11 C 5.5480 8.7181 121.2807 55.4574 40.0273 173.5682 12 V 4.7260 8.9964 121.1342 61.2497 35.1394 173.8558 13 S 5.3065 8.7771 121.6485 56.5188 64.6523 173.0631 14 L 4.9474 9.1034 125.4037 53.8282 43.1771 175.6209 15 T 4.4799 8.4578 112.1248 61.7958 69.5004 173.8308 16 T 4.6695 8.1158 113.3356 60.5219 72.7128 173.4347 17 Q 4.2776 8.7379 121.7600 55.7994 27.4701 175.1574 18 R 4.7156 7.9949 122.9578 54.1725 33.6108 175.8714 19 L 4.3499 8.2434 121.0299 54.1643 41.6375 175.0764 20 P 4.4018 0.0000 0.0000 62.8234 31.8034 175.8600 21 V 4.4204 7.9825 119.3269 59.7929 33.3522 175.6368 22 S 4.2923 9.0586 121.2116 60.9405 62.9418 174.8164 23 R 4.6600 7.5665 116.3481 53.9352 32.9450 175.2517 24 I 4.2146 8.3027 122.2526 61.3357 37.6148 175.6465 25 K 4.4913 8.4781 126.1507 55.6404 34.0877 176.1529 26 T 4.8831 7.9771 119.1389 61.9433 71.8686 172.8078 27 Y 4.6941 8.8913 124.0833 56.1393 41.3821 174.5625 28 T 5.0327 8.6255 113.7969 59.9360 71.2892 173.4962 29 I 4.6567 8.9404 125.9709 59.6355 41.0630 174.0258 30 T 5.0131 8.5818 120.8224 60.3450 69.6554 173.5189 31 E 4.2530 8.9802 129.0562 55.4473 30.4405 173.6949 32 G 4.1059 9.3890 117.4939 45.3301 0.0000 173.0258 33 S 4.6478 7.3588 112.2399 56.7026 65.5178 173.2232 34 L 4.9244 8.1214 122.2963 53.3361 44.9120 175.0175 35 R 5.0073 8.9186 125.6341 54.8624 31.9152 175.0123 36 A 5.0576 9.0561 127.4192 50.1717 21.2983 175.4436 37 V 4.7963 9.1552 122.9610 61.0169 34.8507 174.2617 38 I 4.8201 8.5466 128.1063 59.5693 40.2265 174.3227 39 F 5.2069 9.5573 126.7175 55.8824 41.3193 175.0546 40 I 4.5013 9.0505 126.9654 60.7058 38.2767 175.3589 41 T 4.9680 8.3406 117.4989 59.0954 71.7765 175.3779 42 K 3.9861 8.9240 121.4785 59.5584 32.6551 178.0546 43 R 4.3367 8.4824 114.9814 55.9273 31.2824 176.5334 44 G 4.2741 6.2925 107.9945 45.4779 0.0000 172.6387 45 L 4.7471 8.3126 128.4784 52.8550 44.5464 174.5522 46 K 5.1572 8.9085 127.9321 54.6064 34.6471 174.8314 47 V 5.0196 9.2142 127.4359 60.1854 34.4376 174.0491 48 C 5.6004 9.8467 120.1604 55.1757 39.0392 172.6433 49 A 5.0807 9.0745 124.7219 50.3257 21.4439 174.8090 50 D 4.9464 9.4621 123.7392 51.6548 41.7405 171.5875 51 P 4.4038 0.0000 0.0000 62.6544 32.4740 173.8778 52 Q 3.6104 9.7962 124.2386 52.8178 28.7590 176.7770 53 A 3.6603 8.0934 122.1203 53.0182 17.6671 177.2321 54 T 4.1345 7.8492 105.1748 59.9273 72.1369 175.2336 55 W 4.6371 7.7531 131.7679 53.6767 30.3349 174.0099 56 V 4.1441 8.1283 122.0217 61.1979 31.4072 176.0472 57 R 4.5100 8.3209 126.3744 55.3024 31.2182 176.6574 58 D 4.3630 8.5519 119.0322 55.4452 41.3232 175.9232 59 V 3.2186 7.7687 118.9539 62.8787 28.7569 171.9368 60 V 4.0265 7.6211 121.9947 61.3038 31.3677 176.5232 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 V 8.04 4.11 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 0.96 0.00 0.00 0.97 0.00 0.00 2 G 8.22 3.65 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 0.00 0.00 0.00 3 S 8.65 3.99 0.00 4.01 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 4 E 7.73 4.72 0.00 1.96 1.73 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 2.21 2.27 0.00 5 V 8.30 4.47 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 0.77 0.00 0.00 0.93 0.00 0.00 6 S 8.61 4.76 0.00 3.76 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 7 D 8.78 4.47 0.00 2.70 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 8 K 7.27 4.01 0.00 1.70 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.42 7.81 9 R 7.41 5.12 0.00 1.67 1.92 0.00 3.24 0.00 0.00 3.92 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 10 T 8.68 4.74 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 11 C 8.72 5.55 0.00 2.82 3.07 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 0.00 12 V 9.00 4.73 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 0.96 0.00 0.00 0.95 0.00 0.00 13 S 8.78 5.31 0.00 3.90 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 14 L 9.10 4.95 0.00 1.71 1.80 0.93 0.53 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 15 T 8.46 4.48 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 16 T 8.12 4.67 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 17 Q 8.74 4.28 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 18 R 7.99 4.72 0.00 1.78 1.84 0.00 3.21 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 19 L 8.24 4.35 0.00 1.74 1.67 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.40 0.00 2.21 2.11 0.00 3.72 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 2.00 1.96 0.00 21 V 7.98 4.42 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 0.82 0.00 0.00 1.04 0.00 0.00 22 S 9.06 4.29 0.00 3.90 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 23 R 7.57 4.66 0.00 1.76 1.80 0.00 3.21 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 24 I 8.30 4.21 1.93 0.00 0.00 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 1.37 0.76 1.10 0.00 0.00 25 K 8.48 4.49 0.00 1.92 1.76 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.66 1.69 7.81 26 T 7.98 4.88 4.05 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 0.72 0.00 0.00 27 Y 8.89 4.69 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 28 T 8.63 5.03 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 1.13 0.00 0.00 29 I 8.94 4.66 1.87 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 1.13 0.74 0.91 0.00 0.00 30 T 8.58 5.01 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 1.26 0.00 0.00 31 E 8.98 4.25 0.00 2.03 1.76 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 2.20 2.29 0.00 32 G 9.39 4.11 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 0.00 0.00 0.00 33 S 7.36 4.65 0.00 3.73 3.78 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 34 L 8.12 4.92 0.00 1.76 1.72 0.92 0.98 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 35 R 8.92 5.01 0.00 1.93 1.85 0.00 3.32 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 36 A 9.06 5.06 1.22 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 0.00 0.00 37 V 9.16 4.80 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 0.24 0.00 0.00 0.88 0.00 0.00 38 I 8.55 4.82 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 1.23 0.67 0.95 0.00 0.00 39 F 9.56 5.21 0.00 2.91 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 40 I 9.05 4.50 1.99 0.00 0.00 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 1.50 1.29 0.97 0.00 0.00 41 T 8.34 4.97 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 1.26 0.00 0.00 42 K 8.92 3.99 0.00 1.89 2.02 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.39 7.81 43 R 8.48 4.34 0.00 2.02 2.22 0.00 3.08 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 44 G 6.29 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 45 L 8.31 4.75 0.00 1.73 1.53 0.94 0.60 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 46 K 8.91 5.16 0.00 1.92 2.00 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.67 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.47 7.81 47 V 9.21 5.02 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 0.92 0.00 0.00 0.96 0.00 0.00 48 C 9.85 5.60 0.00 3.05 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 49 A 9.07 5.08 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 50 D 9.46 4.95 0.00 2.75 2.54 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 51 P 0.00 4.40 0.00 2.10 2.03 0.00 4.18 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 52 Q 9.80 3.61 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.13 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 53 A 8.09 3.66 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 54 T 7.85 4.13 4.11 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 1.17 0.00 0.00 55 W 7.75 4.64 0.00 3.25 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 56 V 8.13 4.14 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 0.93 0.00 0.00 1.06 0.00 0.00 57 R 8.32 4.51 0.00 1.88 1.88 0.00 3.27 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 58 D 8.55 4.36 0.00 2.69 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 59 V 7.77 3.22 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 0.87 0.00 0.00 1.02 0.00 0.00 60 V 7.62 4.03 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 0.78 0.00 0.00 0.93 0.00 0.00