NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8962 8.3549 109.7366 45.8473 0.0000 173.0093 0 S 4.3284 7.9567 120.6427 59.0502 64.2088 174.6775 1 M 4.8262 8.0768 119.2436 55.9988 34.8778 176.2627 2 A 4.1175 8.1020 122.5371 54.9313 19.5187 179.7827 3 D 4.7440 7.7142 114.8391 53.9002 39.9908 176.8168 4 T 4.4158 7.5197 111.1144 61.7168 67.9031 173.5479 5 R 4.5954 7.4587 115.1486 56.0068 31.7717 170.2321 6 R 3.8739 8.9923 123.3790 57.3089 30.4156 175.4722 7 R 3.6643 8.7041 120.4635 56.9194 27.0581 173.7220 8 Q 4.3865 7.8052 120.0511 57.0514 31.5808 175.6894 9 N 4.9204 7.6744 109.4744 52.0413 39.7826 170.6136 10 H 4.4868 8.1820 121.5669 55.5732 28.8431 174.1016 11 S 5.0792 8.2317 117.3846 56.7426 65.6908 174.4624 12 C 4.6958 8.6669 119.8525 59.2068 29.9377 174.3437 13 D 4.7153 8.7208 121.2242 57.7166 40.9193 177.4949 14 P 4.4385 0.0000 0.0000 65.7149 31.3583 178.2582 15 C 4.3104 8.0976 116.4122 63.0808 28.4409 175.9445 16 R 3.9871 8.3174 119.7320 59.1596 29.3652 178.9867 17 K 4.2819 7.9394 118.7207 58.2491 32.3210 178.0845 18 G 3.9180 7.9699 103.2972 42.8868 0.0000 173.2037 19 K 3.9313 7.5205 118.4968 56.7528 29.3585 175.2200 20 R 4.7451 8.4291 116.7956 54.3142 34.7955 176.1624 21 R 4.2866 8.5102 118.7229 56.4618 30.3812 174.6021 22 C 4.6836 7.9099 112.1210 57.8440 32.1611 173.9363 23 D 4.1940 8.9481 118.8441 57.3199 40.5086 176.0911 24 A 3.4746 7.8465 126.7708 51.4538 17.9143 174.6724 25 P 5.6895 0.0000 0.0000 61.6174 33.9217 176.1038 26 E 4.2525 8.8249 117.9508 58.4667 29.6319 177.3448 27 N 4.9875 7.6686 114.4562 53.3932 39.9027 176.0110 28 R 3.5549 7.8101 121.9756 59.4459 29.8146 178.2077 29 N 4.3358 7.9570 115.6432 56.4418 38.7267 176.8068 30 E 4.0484 8.1583 119.1618 58.2739 29.4436 178.5493 31 A 3.9041 8.0275 121.1258 55.4982 18.8666 178.9757 32 N 4.6191 8.5208 115.8197 56.1553 36.9485 176.9649 33 E 4.0308 8.1759 121.3105 58.2931 29.7367 177.5333 34 N 5.1191 8.0188 114.7452 51.4146 38.1966 171.4903 35 G 3.8644 7.9459 116.9424 45.6962 0.0000 174.2555 36 W 5.3118 8.8786 135.0000 55.6106 30.4140 178.8546 37 V 4.3912 6.5247 121.2062 61.1180 27.7619 171.2162 38 S 3.9742 6.0520 109.5079 54.9297 66.5560 176.3023 39 C 5.0010 8.6018 120.1684 58.3855 31.6079 173.8375 40 S 4.1066 8.7549 113.4548 62.4836 61.7406 175.2880 41 N 4.1595 8.3385 119.7761 54.3321 38.1727 176.2702 42 C 3.9705 8.3092 120.0570 63.3831 28.6703 176.6447 43 K 3.8482 7.7764 119.5519 59.6342 31.5000 179.5867 44 R 3.7839 7.4971 116.9982 57.9483 29.8058 178.2780 45 W 4.9307 7.3735 116.8324 56.7512 30.5557 176.2850 46 N 4.2629 7.9531 114.6283 54.4184 36.9847 176.1450 47 K 4.8472 7.7741 133.1409 55.8828 31.5011 181.0272 48 D 4.5605 8.6003 120.7950 53.0612 41.2041 171.4984 49 C 4.0476 8.0323 119.9450 59.4919 31.2595 172.8454 50 T 5.1082 8.6130 116.0045 60.6084 71.3303 174.2300 51 F 4.7732 9.1443 121.5212 57.4803 40.0902 175.3891 52 N 4.6665 7.9417 118.5119 53.6922 39.5417 176.8224 53 W 4.4402 8.8541 118.0316 60.1531 28.1470 178.6698 54 L 2.9411 6.4528 118.9881 57.4711 40.7348 178.8971 55 S 4.1143 7.8042 113.2373 61.0508 61.8899 175.6594 56 S 4.2735 7.2999 115.4443 59.1462 63.9079 175.6867 57 Q 4.0902 7.8180 122.4075 59.3324 28.8903 176.8068 58 R 3.9898 7.7262 118.1596 57.2437 30.7350 176.7960 59 S 4.6220 7.4654 112.7860 58.0381 64.6264 176.0084 60 K 4.3054 7.1971 119.0246 58.3533 32.6699 175.2619 61 N 4.6537 7.8883 125.3093 54.7661 40.6420 174.3416 62 S 4.4715 7.8608 117.6165 57.9003 65.5449 174.0632 63 S 4.3624 8.4702 115.5539 58.2836 62.1662 173.4032 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 G 8.35 3.90 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 0.00 0.00 0.00 0 S 7.96 4.33 0.00 4.02 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 1 M 8.08 4.83 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 A 8.10 4.12 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 3 D 7.71 4.74 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.42 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 1.21 0.00 0.00 5 R 7.46 4.60 0.00 1.91 1.89 0.00 3.19 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 6 R 8.99 3.87 0.00 2.00 2.02 0.00 3.41 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 7 R 8.70 3.66 0.00 1.94 2.03 0.00 3.15 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 8 Q 7.81 4.39 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 9 N 7.67 4.92 0.00 2.93 2.96 0.00 0.00 6.23 7.96 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 10 H 8.18 4.49 0.00 3.62 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.23 5.08 0.00 3.89 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 12 C 8.67 4.70 0.00 3.29 3.36 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 13 D 8.72 4.72 0.00 3.90 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 14 P 0.00 4.44 0.00 2.48 2.39 0.00 3.96 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 2.26 2.18 0.00 15 C 8.10 4.31 0.00 3.36 3.36 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 16 R 8.32 3.99 0.00 1.90 2.01 0.00 3.24 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 17 K 7.94 4.28 0.00 1.98 2.01 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.50 7.81 18 G 7.97 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 19 K 7.52 3.93 0.00 2.06 1.92 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.42 7.81 20 R 8.43 4.75 0.00 1.94 2.02 0.00 3.41 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 21 R 8.51 4.29 0.00 1.96 1.98 0.00 3.10 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 22 C 7.91 4.68 0.00 3.15 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 23 D 8.95 4.19 0.00 2.60 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 24 A 7.85 3.47 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 25 P 0.00 5.69 0.00 2.16 2.19 0.00 3.54 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 26 E 8.82 4.25 0.00 2.03 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 2.32 2.34 0.00 27 N 7.67 4.99 0.00 2.67 2.67 0.00 0.00 6.67 7.62 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 28 R 7.81 3.55 0.00 1.12 1.09 0.00 2.79 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.31 0.00 29 N 7.96 4.34 0.00 2.79 2.90 0.00 0.00 6.84 7.80 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 30 E 8.16 4.05 0.00 2.01 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 0.00 2.35 2.36 0.00 31 A 8.03 3.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.52 4.62 0.00 3.06 3.20 0.00 0.00 6.85 8.47 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 33 E 8.18 4.03 0.00 2.16 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 2.34 2.33 0.00 34 N 8.02 5.12 0.00 2.90 2.86 0.00 0.00 7.23 6.49 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 35 G 7.95 3.86 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 0.00 0.00 0.00 36 W 8.88 5.31 0.00 3.11 2.06 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 37 V 6.52 4.39 1.86 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 0.23 0.00 0.00 0.60 0.00 0.00 38 S 6.05 3.97 0.00 3.82 3.58 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 39 C 8.60 5.00 0.00 3.50 3.50 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 0.00 0.00 0.00 0.00 40 S 8.75 4.11 0.00 3.93 3.89 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 0.00 0.00 0.00 41 N 8.34 4.16 0.00 2.87 2.86 0.00 0.00 7.16 7.91 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 42 C 8.31 3.97 0.00 2.94 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 43 K 7.78 3.85 0.00 1.59 1.72 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.48 7.81 44 R 7.50 3.78 0.00 0.67 1.49 0.00 2.81 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.14 0.00 45 W 7.37 4.93 0.00 3.54 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 46 N 7.95 4.26 0.00 2.87 3.11 0.00 0.00 6.89 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 47 K 7.77 4.85 0.00 1.83 1.01 0.00 1.97 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.86 1.82 7.81 48 D 8.60 4.56 0.00 2.50 2.45 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 0.00 0.00 0.00 0.00 49 C 8.03 4.05 0.00 2.85 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 50 T 8.61 5.11 4.83 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 1.36 0.00 0.00 51 F 9.14 4.77 0.00 2.91 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 52 N 7.94 4.67 0.00 3.06 2.84 0.00 0.00 7.11 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 53 W 8.85 4.44 0.00 3.79 3.41 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 54 L 6.45 2.94 0.00 1.23 1.05 0.18 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.80 4.11 0.00 4.10 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 0.00 56 S 7.30 4.27 0.00 3.94 3.86 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 57 Q 7.82 4.09 0.00 1.99 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 58 R 7.73 3.99 0.00 1.67 1.77 0.00 3.10 0.00 0.00 2.89 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 59 S 7.47 4.62 0.00 3.73 3.77 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 60 K 7.20 4.31 0.00 1.63 1.75 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.72 7.81 61 N 7.89 4.65 0.00 2.76 2.67 0.00 0.00 6.53 7.62 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 62 S 7.86 4.47 0.00 3.82 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.47 4.36 0.00 3.86 3.71 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