NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2577 8.3149 121.7885 56.0305 32.2395 175.0782 3 K 4.0664 8.1571 123.3089 53.8592 32.9229 175.0952 4 R 4.7388 7.6791 117.4019 54.5415 33.1541 174.3358 5 L 4.4001 7.6805 116.0716 55.5658 42.4917 173.8815 6 T 4.6167 8.4185 116.3208 61.7162 71.0748 173.4276 7 I 4.7180 8.0614 117.2706 59.2661 40.9020 174.2669 8 T 4.6824 8.2036 115.5227 61.8255 71.4478 173.7138 9 L 4.8375 8.1582 124.2342 51.6855 46.0669 176.9294 10 S 4.2350 8.4460 116.4063 58.2335 64.6855 174.6547 11 E 3.8760 8.9133 125.7348 60.1001 29.2489 178.7833 12 S 4.2629 8.2509 112.8824 62.0864 62.6016 176.1632 13 V 3.4993 7.9824 121.7810 65.5529 31.2471 177.5213 14 L 3.7986 8.6859 119.3997 59.0314 41.8379 178.3715 15 E 3.7810 9.2500 118.5659 60.1316 29.6462 178.6003 16 N 4.2452 8.9736 116.9489 56.9213 39.0807 176.3588 17 L 3.8915 8.5128 121.7831 58.1271 42.0256 178.5311 18 E 3.8974 8.5253 118.2461 60.0556 29.5324 179.0563 19 K 3.7768 8.2185 118.7997 60.0468 32.0446 178.0800 20 M 3.9636 8.9748 118.1715 58.5837 32.1079 178.6139 21 A 3.9432 8.3604 120.8057 55.3032 18.6612 179.2943 22 R 3.8082 8.2772 117.2605 59.7721 29.8625 178.1659 23 E 3.9456 8.1479 117.4572 59.4819 29.8058 177.9545 24 M 4.3827 8.3572 115.6264 54.5149 32.4349 176.2690 25 G 3.9314 7.8153 106.7002 46.8227 0.0000 173.6298 26 L 4.8271 7.8742 117.8487 51.8779 45.2552 177.4114 27 S 4.4921 8.1841 115.2266 57.7935 65.2983 175.4261 28 K 4.0095 8.4480 121.7608 59.6545 31.7832 179.6888 29 S 4.0882 8.0873 114.7130 61.5181 62.8294 176.3789 30 A 3.9417 8.3540 123.6001 55.4085 18.1040 178.9140 31 M 3.8103 8.4122 116.9930 59.1489 32.2289 178.4708 32 I 3.6599 8.0228 119.5589 64.5650 37.3037 178.2506 33 S 4.0945 8.0707 115.9680 62.0693 62.7372 176.7679 34 V 3.5345 8.3274 120.3991 66.1040 31.0426 177.3848 35 A 3.9919 8.3012 120.1874 55.5551 18.1895 179.2388 36 L 4.2659 8.4550 117.0321 58.1100 41.7183 179.2562 37 E 3.9329 8.5492 119.1732 59.5182 29.5541 178.4467 38 N 4.2525 8.7502 116.9883 56.8890 38.8229 175.6257 39 Y 4.0256 8.6321 120.6968 61.0930 38.9666 177.8057 40 K 3.9317 8.7328 120.3392 59.5846 32.0681 178.3229 41 K 3.8905 8.2919 119.7083 59.8505 32.2535 178.3910 42 G 3.6940 7.7788 104.4502 47.1153 0.0000 173.2998 43 Q 4.3855 8.4960 120.8765 56.3390 29.2876 174.3457 44 E 4.7797 7.5539 120.1943 54.2720 32.7390 175.1008 45 K 4.0519 8.7697 117.3343 57.7138 32.3517 176.3179 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 K 8.31 4.26 0.00 1.71 1.83 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.53 7.81 3 K 8.16 4.07 0.00 1.87 1.72 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.49 7.81 4 R 7.68 4.74 0.00 1.87 1.87 0.00 3.07 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 5 L 7.68 4.40 0.00 1.71 1.62 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.42 4.62 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 1.20 0.00 0.00 7 I 8.06 4.72 1.86 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 1.40 0.65 0.90 0.00 0.00 8 T 8.20 4.68 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 1.20 0.00 0.00 9 L 8.16 4.84 0.00 1.55 1.49 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.45 4.24 0.00 4.04 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 11 E 8.91 3.88 0.00 2.09 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 2.38 2.56 0.00 12 S 8.25 4.26 0.00 4.08 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 13 V 7.98 3.50 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 0.97 0.00 0.00 0.92 0.00 0.00 14 L 8.69 3.80 0.00 1.74 1.83 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.25 3.78 0.00 2.33 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 2.32 2.37 0.00 16 N 8.97 4.25 0.00 2.83 2.93 0.00 0.00 6.99 6.32 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 17 L 8.51 3.89 0.00 1.73 1.83 0.92 0.91 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 18 E 8.53 3.90 0.00 2.30 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 2.34 2.40 0.00 19 K 8.22 3.78 0.00 1.82 1.93 0.00 1.66 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 20 M 8.97 3.96 0.00 2.05 2.23 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 2.97 2.59 0.00 21 A 8.36 3.94 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 22 R 8.28 3.81 0.00 1.98 2.14 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 23 E 8.15 3.95 0.00 1.97 2.24 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 2.33 2.40 0.00 24 M 8.36 4.38 0.00 1.99 2.09 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 2.88 2.55 0.00 25 G 7.82 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 26 L 7.87 4.83 0.00 1.60 1.55 0.92 0.96 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 27 S 8.18 4.49 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 28 K 8.45 4.01 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.53 1.53 7.81 29 S 8.09 4.09 0.00 3.86 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 30 A 8.35 3.94 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 31 M 8.41 3.81 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 32 I 8.02 3.66 2.06 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 1.51 0.52 0.90 0.00 0.00 33 S 8.07 4.09 0.00 4.02 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 34 V 8.33 3.53 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 0.82 0.00 0.00 1.01 0.00 0.00 35 A 8.30 3.99 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 36 L 8.45 4.27 0.00 1.82 1.77 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.55 3.93 0.00 2.28 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 2.33 2.40 0.00 38 N 8.75 4.25 0.00 2.76 2.98 0.00 0.00 6.89 7.42 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 39 Y 8.63 4.03 0.00 2.95 3.24 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 40 K 8.73 3.93 0.00 1.94 2.14 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 41 K 8.29 3.89 0.00 1.76 2.01 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.49 7.81 42 G 7.78 3.69 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 0.00 43 Q 8.50 4.39 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 44 E 7.55 4.78 0.00 2.03 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 0.00 2.16 2.18 0.00 45 K 8.77 4.05 0.00 1.84 1.79 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.39 7.81