NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4082 8.3349 115.2869 58.4218 63.5590 175.8669 6 D 4.7094 8.3628 110.5360 50.3573 40.9197 171.8857 7 P 4.5139 0.0000 0.0000 61.5092 33.7146 174.5788 8 P 4.5510 0.0000 0.0000 62.7113 32.2005 175.5441 9 T 4.4815 8.0933 115.3944 61.6210 70.5740 174.2004 10 A 4.3435 8.4076 128.1935 51.8041 19.2453 177.6312 11 C 4.9916 8.5676 119.7121 55.1096 43.8109 173.9979 12 C 4.8614 8.1027 118.2765 55.3405 42.0986 174.2154 13 F 4.4866 8.5456 121.6433 57.2947 40.1889 175.6052 14 S 4.4172 7.4750 113.6277 56.7545 65.7382 172.7227 15 Y 5.0181 7.9827 119.2770 56.0892 40.1008 175.8271 16 T 4.0312 8.9640 118.0846 62.8087 67.8592 173.7092 17 A 4.7222 8.5728 126.7803 51.8828 20.3756 176.6806 18 R 4.4727 7.4178 115.5911 53.5325 31.9908 176.0585 19 K 2.0000 7.9628 124.0495 55.3323 32.5231 176.4014 20 L 3.9851 6.1728 126.3631 53.3131 42.6415 175.1221 21 P 4.0291 0.0000 0.0000 62.5364 32.0115 177.0629 22 R 3.4397 8.8264 123.2789 59.6585 29.8426 177.3517 23 N 4.7092 7.9035 110.9673 53.6754 38.8662 175.7859 24 F 4.5712 8.4294 118.9469 58.7888 39.5140 175.3364 25 V 4.8596 7.5981 120.8532 61.4804 32.3349 175.5151 26 V 4.4917 8.1600 118.7980 60.8835 33.3890 174.4416 27 D 4.7845 7.9732 119.3356 54.3949 44.4336 173.5768 28 Y 5.4611 8.6560 118.6710 56.1704 41.3241 173.1196 29 Y 4.2439 8.3803 117.1055 55.7369 42.0144 172.9344 30 E 5.1200 8.6378 120.9557 54.5952 31.6059 175.4937 31 T 4.3826 8.4006 116.8272 61.0263 69.5378 174.3293 32 S 4.1548 8.8157 118.3033 58.6024 62.9863 175.2323 33 S 4.4191 8.4036 117.5108 59.6449 63.4169 175.3957 34 L 4.1107 8.3938 121.3480 57.3423 41.5714 176.8477 35 C 4.5863 7.4536 115.1421 56.4903 40.5836 173.9801 36 S 4.1349 8.4050 115.4631 60.3397 63.1743 174.0091 37 Q 4.6195 7.3508 117.0437 54.1729 31.0992 172.2528 38 P 4.4847 0.0000 0.0000 62.7303 32.4291 175.4542 39 A 4.6364 7.9681 120.6837 51.2733 22.8647 175.0177 40 V 4.5314 8.1556 118.7151 60.9133 34.7755 174.5527 41 V 4.6035 8.2837 126.9939 61.0419 33.8129 174.0962 42 F 5.2842 8.8879 127.0773 56.4111 41.0019 174.6763 43 Q 5.1663 9.4996 125.1500 55.2336 31.1879 174.9774 44 T 5.1285 8.3820 115.9990 59.8575 71.6012 175.4149 45 K 3.8886 8.5862 122.3957 59.8652 32.0496 177.7550 46 R 4.1852 7.8330 113.8179 56.3057 29.8493 176.5956 47 S 3.9958 8.0349 112.6784 59.3961 60.8237 171.1052 48 K 4.4901 7.9046 120.0706 56.2491 33.5450 175.8635 49 Q 5.2434 8.5472 119.6326 54.2759 32.2057 175.3776 50 V 4.4902 8.6324 122.6476 61.1680 34.8930 173.8771 51 C 5.0444 8.9921 125.6673 57.0256 36.0886 172.5522 52 A 5.1754 8.9339 124.3261 50.0875 22.9462 174.7753 53 D 3.3700 8.3716 121.2784 52.8374 41.5446 175.4314 54 P 4.1997 0.0000 0.0000 64.6341 31.5704 177.5587 55 S 4.2099 8.2145 113.8843 59.7886 63.1775 174.4939 56 E 4.4622 7.4903 120.8261 54.4996 31.8357 176.2275 57 S 4.0203 8.6717 118.3040 61.6950 62.5150 176.7766 58 W 4.2294 8.1973 118.4756 59.4984 27.6158 178.1816 59 V 2.6799 6.3755 118.2530 65.6563 30.9792 177.8016 60 Q 3.9953 7.5639 117.3657 59.0806 28.6068 178.8850 61 E 4.0791 8.3155 119.5450 59.7538 29.4451 179.0473 62 Y 4.2571 8.2615 116.4280 60.7408 37.9625 178.3667 63 V 2.9812 8.1539 119.4183 66.1940 31.6984 177.4477 64 Y 3.8510 8.4940 116.8734 61.3732 37.7157 178.5544 65 D 4.4243 8.0756 118.1454 57.1840 41.1754 178.3451 66 L 4.1248 8.0983 119.0555 57.3445 41.6855 178.8848 67 E 4.1565 8.0571 118.7303 59.3697 29.7782 178.4179 68 L 4.2413 7.8189 117.2602 56.7397 42.0923 176.7120 69 N 4.5673 8.1560 119.7096 53.3066 38.7111 174.6844 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 5 S 8.33 4.41 0.00 3.83 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.36 4.71 0.00 2.72 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 7 P 0.00 4.51 0.00 2.13 2.05 0.00 3.48 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 1.95 2.04 0.00 8 P 0.00 4.55 0.00 2.21 2.10 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 9 T 8.09 4.48 4.24 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 1.20 0.00 0.00 10 A 8.41 4.34 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.57 4.99 0.00 2.71 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 C 8.10 4.86 0.00 2.75 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 13 F 8.55 4.49 0.00 2.97 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 14 S 7.48 4.42 0.00 3.89 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 15 Y 7.98 5.02 0.00 3.04 2.92 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 16 T 8.96 4.03 4.42 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 0.00 0.00 0.00 1.63 0.00 0.00 17 A 8.57 4.72 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.42 4.47 0.00 1.64 1.76 0.00 3.31 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 19 K 7.96 2.00 0.00 0.79 1.09 0.00 1.37 0.00 0.00 1.36 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.74 0.21 7.81 20 L 6.17 3.99 0.00 1.53 1.56 1.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.03 0.00 0.76 1.28 0.00 3.28 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.49 0.00 22 R 8.83 3.44 0.00 1.61 1.78 0.00 2.21 0.00 0.00 2.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 23 N 7.90 4.71 0.00 2.79 2.91 0.00 0.00 6.91 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 24 F 8.43 4.57 0.00 3.22 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 25 V 7.60 4.86 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 1.06 0.00 0.00 0.99 0.00 0.00 26 V 8.16 4.49 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 0.77 0.00 0.00 1.09 0.00 0.00 27 D 7.97 4.78 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.66 5.46 0.00 2.62 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 29 Y 8.38 4.24 0.00 2.78 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 30 E 8.64 5.12 0.00 2.05 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 2.21 2.52 0.00 31 T 8.40 4.38 4.42 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 0.00 0.00 0.00 1.27 0.00 0.00 32 S 8.82 4.15 0.00 3.85 3.80 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 33 S 8.40 4.42 0.00 4.01 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 34 L 8.39 4.11 0.00 1.61 1.78 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.45 4.59 0.00 3.01 2.87 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 36 S 8.41 4.13 0.00 4.06 4.12 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 37 Q 7.35 4.62 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 38 P 0.00 4.48 0.00 2.05 2.00 0.00 3.77 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 2.02 2.08 0.00 39 A 7.97 4.64 1.30 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 0.00 0.00 0.00 40 V 8.16 4.53 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 0.20 0.00 0.00 0.71 0.00 0.00 41 V 8.28 4.60 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 0.00 0.00 0.71 0.00 0.00 0.65 0.00 0.00 42 F 8.89 5.28 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 43 Q 9.50 5.17 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 44 T 8.38 5.13 4.37 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 1.37 0.00 0.00 45 K 8.59 3.89 0.00 1.71 1.80 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.43 7.81 46 R 7.83 4.19 0.00 1.79 1.91 0.00 3.25 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 47 S 8.03 4.00 0.00 4.07 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 48 K 7.90 4.49 0.00 1.82 1.78 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.49 7.81 49 Q 8.55 5.24 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 50 V 8.63 4.49 2.35 0.00 0.00 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 1.08 0.00 0.00 51 C 8.99 5.04 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 52 A 8.93 5.18 1.28 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 0.00 0.00 0.00 53 D 8.37 3.37 0.00 1.74 2.32 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 0.00 0.00 0.00 0.00 54 P 0.00 4.20 0.00 1.95 1.95 0.00 3.36 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 55 S 8.21 4.21 0.00 3.89 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 56 E 7.49 4.46 0.00 1.70 1.84 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 2.21 2.25 0.00 57 S 8.67 4.02 0.00 3.88 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 58 W 8.20 4.23 0.00 3.37 3.20 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 0.00 0.00 0.00 0.00 59 V 6.38 2.68 1.68 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 0.79 0.00 0.00 -0.47 0.00 0.00 60 Q 7.56 4.00 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.57 0.00 61 E 8.32 4.08 0.00 2.43 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 0.00 2.59 2.59 0.00 62 Y 8.26 4.26 0.00 3.22 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 63 V 8.15 2.98 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 0.55 0.00 0.00 0.44 0.00 0.00 64 Y 8.49 3.85 0.00 3.18 3.06 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 65 D 8.08 4.42 0.00 2.98 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.12 0.00 1.73 1.94 1.24 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.06 4.16 0.00 2.04 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 2.25 2.38 0.00 68 L 7.82 4.24 0.00 1.79 1.74 1.02 0.80 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 69 N 8.16 4.57 0.00 2.84 2.73 0.00 0.00 6.91 7.09 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