NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6074 8.3049 120.3721 56.2538 32.7680 171.1604 2 I 2.8305 7.7435 127.7906 59.1222 38.1131 169.3428 3 V 3.1003 8.5621 125.2141 62.0869 32.8374 173.7573 4 P 4.2378 0.0000 0.0000 61.3627 30.8083 176.6125 5 V 3.4626 8.1520 123.8653 63.9177 31.9697 172.6174 6 R 3.7548 8.6407 130.4076 55.6018 30.2527 175.6064 7 C 3.9787 8.5819 122.2087 58.9073 31.5269 173.0185 8 F 4.3241 7.8652 125.1330 60.3544 38.3192 176.8040 9 S 3.9172 7.8856 117.5913 63.2644 63.7737 176.3618 10 C 4.1082 7.9270 117.5683 60.9758 29.9616 175.0407 11 G 4.3262 8.2684 105.4677 44.1332 0.0000 173.4704 12 K 4.0356 7.9606 121.9296 55.5535 32.8990 176.1437 13 V 3.7988 8.1213 125.1188 64.1968 32.1788 176.2507 14 V 4.3758 8.0530 120.5559 63.5869 34.9175 175.3861 15 G 3.4963 8.0934 108.1620 48.6662 0.0000 174.7901 16 D 4.5658 8.1533 119.4821 55.9300 40.2138 178.4401 17 K 4.0586 7.4966 116.7410 57.9667 32.1308 177.9507 18 W 4.8052 8.7318 129.0733 59.6506 30.2391 176.9951 19 E 3.6756 8.7080 116.8717 59.8478 29.7083 179.2658 20 S 4.0825 8.2131 114.2352 61.9951 62.7160 176.1951 21 Y 3.9415 8.1034 120.6227 60.7274 38.7583 177.1925 22 L 3.5284 8.2170 121.4979 58.1641 41.8512 178.8651 23 N 4.3230 8.3822 116.7627 55.9667 38.0649 176.9671 24 L 4.0720 7.5008 117.6218 56.2523 41.4661 178.0635 25 L 4.1921 7.5406 118.7677 56.3890 42.6029 178.3200 26 Q 3.7930 7.3475 117.6371 59.2211 29.1555 177.1824 27 E 3.9844 7.4500 118.3110 58.5170 29.6671 178.2702 28 D 4.2904 8.5586 117.2549 56.6071 40.9258 178.8419 29 E 3.9282 7.9349 114.7393 58.2780 25.2587 174.7842 30 L 4.8476 7.9035 125.2558 52.1159 46.1826 175.9240 31 D 4.9388 8.0797 118.7254 51.9133 42.1093 175.6395 32 E 3.3642 9.3108 115.1592 58.1539 30.1415 180.9724 33 G 3.9833 8.3468 110.5671 48.0752 0.0000 175.5421 34 T 4.0394 8.3030 118.2089 66.3448 68.4366 177.1829 35 A 3.9469 7.7133 122.0440 55.6772 18.8797 178.9725 36 L 4.0414 8.3934 116.9428 58.0218 41.4586 179.6118 37 S 4.1840 8.1109 113.5595 62.0956 62.7547 177.2171 38 R 4.1023 7.7877 120.1704 58.9968 30.0035 178.0603 39 L 4.2182 8.3821 117.8544 55.8685 41.7297 177.8248 40 G 3.9919 7.5707 105.2615 45.2539 0.0000 173.7391 41 L 4.0503 7.7613 118.6366 55.1345 41.2113 176.0225 42 K 4.3147 8.6934 125.4496 57.1803 33.7522 176.7098 43 R 4.7303 7.6643 115.0826 54.3135 31.1916 176.4228 44 Y 4.3727 9.5166 119.5033 60.5147 37.6246 177.9228 45 C 4.0026 7.6055 114.8461 61.5213 29.6491 174.4701 46 C 4.4751 7.7974 113.2568 57.6520 29.5436 174.9684 47 R 4.2238 7.7541 121.7935 59.2264 29.8755 178.2617 48 R 3.9355 8.7659 116.8750 59.5690 29.2289 177.9664 49 M 3.7911 8.0946 118.2872 58.9846 32.0509 177.9995 50 I 3.8204 7.5697 119.4341 63.7988 37.2781 178.0797 51 L 3.8884 6.8992 118.4150 57.8138 41.9876 178.1766 52 T 4.4960 7.5557 112.9736 64.4631 70.3623 174.1133 53 H 3.7691 6.9449 117.1362 56.4977 29.9566 173.9145 54 V 4.0587 8.2637 126.7808 61.2906 32.4962 176.6144 55 D 4.7412 8.3169 131.7943 53.2816 40.1989 177.1233 56 L 3.7306 8.3033 122.3669 58.6272 42.4956 180.3904 57 I 4.2318 8.1464 117.6676 64.3471 37.8756 176.7631 58 E 4.1050 7.8869 117.9265 59.6235 29.6738 179.4396 59 K 4.0258 8.3918 118.2748 59.4804 31.9035 179.1069 60 F 4.6625 7.7986 116.0988 61.1666 39.3002 177.3129 61 L 4.2885 9.0212 119.2636 57.8000 41.1449 179.1203 62 R 4.1089 7.6958 114.3773 55.5938 29.9809 175.2809 63 Y 4.4790 8.2425 119.5650 58.2374 36.0447 175.9543 64 N 4.9790 9.0993 125.7612 53.8873 43.3303 171.2069 65 P 4.4902 0.0000 0.0000 62.9211 31.7336 176.4212 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 M 8.30 4.61 0.00 2.10 2.41 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 2 I 7.74 2.83 1.82 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 0.15 0.81 0.00 0.00 3 V 8.56 3.10 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 0.68 0.00 0.00 0.14 0.00 0.00 4 P 0.00 4.24 0.00 1.71 1.56 0.00 3.45 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 5 V 8.15 3.46 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 0.76 0.00 0.00 0.88 0.00 0.00 6 R 8.64 3.75 0.00 1.93 2.04 0.00 3.25 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 7 C 8.58 3.98 0.00 2.86 2.83 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 8 F 7.87 4.32 0.00 3.07 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 9 S 7.89 3.92 0.00 3.92 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 10 C 7.93 4.11 0.00 3.08 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 11 G 8.27 4.33 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 0.00 0.00 0.00 12 K 7.96 4.04 0.00 1.79 1.67 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.42 7.81 13 V 8.12 3.80 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 0.81 0.00 0.00 0.93 0.00 0.00 14 V 8.05 4.38 1.99 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 0.79 0.00 0.00 0.95 0.00 0.00 15 G 8.09 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 0.00 0.00 0.00 16 D 8.15 4.57 0.00 2.96 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 17 K 7.50 4.06 0.00 2.00 2.02 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.57 7.81 18 W 8.73 4.81 0.00 3.31 2.95 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 19 E 8.71 3.68 0.00 2.07 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 2.55 2.60 0.00 20 S 8.21 4.08 0.00 4.10 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 21 Y 8.10 3.94 0.00 2.93 3.23 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 22 L 8.22 3.53 0.00 0.67 1.32 0.57 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.38 4.32 0.00 2.92 2.75 0.00 0.00 6.94 6.57 0.00 0.00 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 L 7.50 4.07 0.00 1.58 1.57 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.54 4.19 0.00 1.61 1.47 0.66 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.35 3.79 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 27 E 7.45 3.98 0.00 2.14 1.74 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 2.35 2.27 0.00 28 D 8.56 4.29 0.00 2.58 2.64 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 0.00 0.00 0.00 0.00 29 E 7.93 3.93 0.00 1.95 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 0.00 2.25 2.51 0.00 30 L 7.90 4.85 0.00 1.72 1.50 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.08 4.94 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.31 3.36 0.00 2.16 1.90 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 2.52 2.64 0.00 33 G 8.35 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 0.00 0.00 0.00 34 T 8.30 4.04 4.41 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 1.22 0.00 0.00 35 A 7.71 3.95 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 36 L 8.39 4.04 0.00 1.92 1.73 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.11 4.18 0.00 4.07 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 38 R 7.79 4.10 0.00 1.86 2.17 0.00 3.26 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 39 L 8.38 4.22 0.00 1.85 1.78 1.23 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.57 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 0.00 0.00 0.00 41 L 7.76 4.05 0.00 1.67 1.81 0.95 0.84 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 42 K 8.69 4.31 0.00 1.73 1.84 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.45 7.81 43 R 7.66 4.73 0.00 2.11 2.11 0.00 3.04 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 44 Y 9.52 4.37 0.00 3.21 3.13 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 45 C 7.61 4.00 0.00 3.01 2.90 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 46 C 7.80 4.48 0.00 3.17 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.75 4.22 0.00 2.10 2.10 0.00 3.38 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 48 R 8.77 3.94 0.00 2.11 2.27 0.00 2.94 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.03 0.00 49 M 8.09 3.79 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 50 I 7.57 3.82 1.67 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 1.33 0.85 0.37 0.00 0.00 51 L 6.90 3.89 0.00 1.68 1.88 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.56 4.50 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 1.25 0.00 0.00 53 H 6.94 3.77 0.00 2.98 3.03 0.00 5.76 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.26 4.06 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 0.84 0.00 0.00 1.02 0.00 0.00 55 D 8.32 4.74 0.00 2.91 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 56 L 8.30 3.73 0.00 1.71 0.93 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.15 4.23 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.51 1.08 0.00 0.00 58 E 7.89 4.10 0.00 2.19 2.05 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 2.66 2.62 0.00 59 K 8.39 4.03 0.00 1.41 1.70 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 60 F 7.80 4.66 0.00 3.29 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 61 L 9.02 4.29 0.00 1.92 1.80 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.70 4.11 0.00 1.74 1.77 0.00 3.18 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 63 Y 8.24 4.48 0.00 3.22 2.26 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 0.00 64 N 9.10 4.98 0.00 2.69 2.60 0.00 0.00 6.84 7.69 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 65 P 0.00 4.49 0.00 2.23 2.03 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00