NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4220 8.0976 119.7075 55.6958 32.2618 174.4672 2 T 4.4052 7.5008 108.2551 61.6529 70.4993 172.4008 3 C 4.9536 9.7098 118.4676 57.0432 41.1097 174.5083 4 L 4.8866 7.5726 119.8689 53.4993 43.6764 175.8370 5 I 4.8199 7.7342 125.8244 57.8836 38.0349 174.2278 6 S 4.9127 7.4281 127.0308 58.6219 65.3855 176.1724 7 P 4.2612 0.0000 0.0000 64.1426 30.1285 176.4983 8 S 4.3002 8.7716 114.2956 57.3164 65.0826 174.7155 9 S 3.7068 7.9506 116.4980 60.3395 59.7831 172.3514 10 T 4.7150 7.3613 106.5633 60.1575 69.1194 173.3177 11 P 4.5451 0.0000 0.0000 64.2854 32.6712 176.7487 12 Q 4.5404 8.2606 116.4138 57.5950 31.9419 174.1873 13 T 4.6925 7.6156 116.9738 65.5119 70.2149 173.2791 14 C 6.3000 8.4254 121.7605 56.1013 42.3844 172.7190 15 P 4.4084 0.0000 0.0000 63.7465 31.7252 176.9048 16 N 4.5545 8.8024 120.1290 54.7354 38.4908 175.1241 17 G 4.0720 7.2424 105.5486 45.4206 0.0000 172.1086 18 Q 4.4442 7.5962 120.6595 53.4750 30.7031 175.6005 19 D 4.6331 8.4755 121.2426 54.3208 41.3288 176.3203 20 I 4.5463 8.1044 124.6970 59.9359 40.3355 175.6036 21 C 4.7966 8.9313 127.6221 56.1549 43.1057 171.9816 22 F 5.1847 8.7690 125.5028 56.9459 42.8655 172.5167 23 L 4.7760 7.7951 127.6022 52.8072 45.4518 174.7444 24 K 4.3613 9.8892 126.4465 54.5602 34.9196 174.5155 25 A 5.2189 8.7081 129.9305 49.5757 20.8118 174.4356 26 Q 4.8360 7.9530 118.4052 55.7506 32.5019 172.7432 27 C 4.5728 8.5437 113.9651 55.1568 42.4107 172.4730 28 D 4.5781 8.0903 121.1529 52.8808 42.8908 171.4159 29 K 3.1449 9.1644 133.4410 56.6393 32.1892 175.2139 30 F 4.4596 8.4801 126.8318 58.0584 37.6213 176.9710 31 C 4.4244 8.2461 113.0080 57.5426 37.7218 174.3672 32 S 4.6679 7.8216 110.0935 59.7412 65.4733 175.5412 33 I 4.5467 8.0071 121.4942 60.9577 39.4161 176.1714 34 R 4.4465 8.2240 113.0412 54.8487 30.9964 176.4140 35 G 3.8079 8.1044 106.2687 43.7545 0.0000 171.0256 36 P 4.3610 0.0000 0.0000 62.7109 32.0507 175.3685 37 V 4.5408 8.3751 119.9508 61.0951 35.3187 173.6901 38 I 4.7680 8.1739 123.1402 59.1395 39.8082 174.0446 39 E 4.9206 9.4553 129.5545 54.7501 33.4276 173.7228 40 Q 4.6638 9.2410 122.4305 53.5780 32.2435 175.8123 41 G 4.2237 7.4773 107.3205 45.7170 0.0000 169.9812 42 C 5.1672 8.2636 119.0621 53.6834 44.7164 173.2493 43 V 4.2170 7.8395 119.0660 60.9586 35.1050 174.1962 44 A 3.9008 8.6323 124.2630 54.0941 17.3438 178.1435 45 T 4.5572 8.2082 111.2727 59.8593 72.2488 174.6484 46 C 4.2966 8.8881 125.7746 56.1611 43.8003 171.7058 47 P 4.6095 0.0000 0.0000 62.2492 32.0909 177.0912 48 Q 4.3097 8.5230 117.3461 58.8060 27.1696 175.9328 49 F 2.7909 8.0588 115.0663 61.2274 39.5746 175.1204 50 R 4.3221 7.5061 116.8871 56.7262 32.3168 175.8942 51 S 4.6761 8.9582 118.0894 58.9349 62.9033 173.6526 52 N 5.0238 8.0827 118.2186 53.9875 39.1140 173.5879 53 Y 4.6671 8.0473 115.5609 55.9937 40.4962 174.4395 54 R 4.5592 8.8680 118.5203 55.8392 32.1728 176.4589 55 S 5.4989 7.2386 119.3583 58.5792 65.6550 175.1272 56 L 4.8528 8.5425 129.4935 52.0580 44.3615 175.1487 57 L 4.7639 8.3774 127.6499 53.7003 44.2923 174.9461 58 C 5.2931 9.2226 126.4240 55.2099 40.2047 173.6222 59 C 4.5977 8.7920 123.5921 55.1915 46.1073 174.5634 60 T 3.7788 8.3288 105.9625 62.0776 67.3618 171.1498 61 T 4.7097 7.5801 109.0507 61.1691 71.8567 172.1407 62 D 4.8237 8.4012 121.0758 53.5839 43.2860 175.1899 63 N 4.9479 8.9174 118.4935 54.2988 35.9231 173.5809 64 C 5.0477 8.1955 106.6036 54.8298 42.7088 173.0141 65 N 5.1840 7.7847 116.6842 52.9753 41.6882 173.4788 66 H 4.2498 8.2973 121.6982 56.8525 30.2819 173.3004 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 R 8.10 4.42 0.00 1.86 2.01 0.00 3.28 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 2 T 7.50 4.41 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 1.25 0.00 0.00 3 C 9.71 4.95 0.00 2.98 3.11 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 4 L 7.57 4.89 0.00 1.76 1.57 0.95 0.80 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 5 I 7.73 4.82 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.53 0.91 0.00 0.00 6 S 7.43 4.91 0.00 3.82 3.83 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 0.00 0.00 0.00 0.00 7 P 0.00 4.26 0.00 1.99 1.93 0.00 3.78 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 1.85 1.84 0.00 8 S 8.77 4.30 0.00 3.98 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 9 S 7.95 3.71 0.00 4.02 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 10 T 7.36 4.71 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 1.21 0.00 0.00 11 P 0.00 4.55 0.00 2.20 2.20 0.00 3.88 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 12 Q 8.26 4.54 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 13 T 7.62 4.69 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 1.32 0.00 0.00 14 C 8.43 6.30 0.00 3.12 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 15 P 0.00 4.41 0.00 2.23 2.14 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 16 N 8.80 4.55 0.00 2.72 2.90 0.00 0.00 6.80 7.64 0.00 0.00 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 G 7.24 4.07 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 0.00 0.00 0.00 18 Q 7.60 4.44 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 19 D 8.48 4.63 0.00 2.56 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 20 I 8.10 4.55 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.55 0.98 0.00 0.00 21 C 8.93 4.80 0.00 3.06 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 22 F 8.77 5.18 0.00 3.11 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 23 L 7.80 4.78 0.00 1.59 1.32 0.88 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.89 4.36 0.00 1.89 1.77 0.00 1.97 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.51 7.81 25 A 8.71 5.22 1.29 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 26 Q 7.95 4.84 0.00 1.78 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.89 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 27 C 8.54 4.57 0.00 3.07 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 28 D 8.09 4.58 0.00 2.52 2.49 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 0.00 0.00 0.00 0.00 29 K 9.16 3.14 0.00 1.56 0.78 0.00 1.69 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.38 0.84 7.81 30 F 8.48 4.46 0.00 3.31 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 31 C 8.25 4.42 0.00 3.08 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 32 S 7.82 4.67 0.00 3.94 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 33 I 8.01 4.55 1.96 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.57 0.84 0.00 0.00 34 R 8.22 4.45 0.00 1.91 2.07 0.00 3.29 0.00 0.00 3.72 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 35 G 8.10 3.81 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 0.00 0.00 0.00 36 P 0.00 4.36 0.00 2.18 2.05 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 37 V 8.38 4.54 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 38 I 8.17 4.77 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 1.20 1.04 0.90 0.00 0.00 39 E 9.46 4.92 0.00 1.99 1.72 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 2.24 2.27 0.00 40 Q 9.24 4.66 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 41 G 7.48 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 0.00 0.00 0.00 42 C 8.26 5.17 0.00 3.04 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 43 V 7.84 4.22 1.61 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 0.47 0.00 0.00 0.28 0.00 0.00 44 A 8.63 3.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.56 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 46 C 8.89 4.30 0.00 3.05 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.61 0.00 2.21 2.04 0.00 3.92 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 1.96 1.95 0.00 48 Q 8.52 4.31 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 5.96 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 49 F 8.06 2.79 0.00 2.99 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 50 R 7.51 4.32 0.00 1.47 1.16 0.00 3.25 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 51 S 8.96 4.68 0.00 4.06 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 52 N 8.08 5.02 0.00 2.69 2.97 0.00 0.00 7.02 7.87 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 53 Y 8.05 4.67 0.00 2.88 2.93 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 54 R 8.87 4.56 0.00 1.77 1.90 0.00 3.44 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 55 S 7.24 5.50 0.00 4.01 3.76 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 0.00 0.00 0.00 56 L 8.54 4.85 0.00 1.37 1.20 0.56 0.59 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 57 L 8.38 4.76 0.00 1.73 1.46 0.93 0.83 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 58 C 9.22 5.29 0.00 3.62 3.25 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 59 C 8.79 4.60 0.00 3.07 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 60 T 8.33 3.78 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 1.28 0.00 0.00 61 T 7.58 4.71 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 1.31 0.00 0.00 62 D 8.40 4.82 0.00 2.67 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 63 N 8.92 4.95 0.00 2.90 2.86 0.00 0.00 7.16 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.20 5.05 0.00 3.04 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 65 N 7.78 5.18 0.00 2.66 2.68 0.00 0.00 6.91 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 66 H 8.30 4.25 0.00 3.00 3.06 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00