NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9289 8.3549 109.7365 44.3523 0.0000 173.0015 2 P 4.0906 0.0000 0.0000 62.4574 31.5749 174.3748 3 L 4.6968 8.5452 122.6092 52.9282 44.3045 175.0280 4 G 3.7595 7.9885 111.4230 45.7602 0.0000 173.3978 5 S 4.6009 7.6564 116.2051 55.6901 67.0537 173.6634 6 D 4.6002 8.6315 123.8820 53.4316 40.7965 175.3923 7 T 4.7294 8.1977 115.8029 59.5575 71.9981 172.1852 8 K 4.6453 8.2728 120.1665 54.9108 35.7078 173.7537 9 L 4.6132 7.8332 118.0469 53.6079 44.7131 176.5144 10 Y 4.7288 7.8176 120.7183 58.4918 36.8059 179.7962 11 C 4.2756 10.0543 127.7807 57.3762 44.3157 173.5931 12 I 3.7676 8.7531 119.9878 62.9919 37.1195 174.8318 13 C 4.6528 8.0103 115.7352 55.0330 42.0711 174.2933 14 K 3.7410 8.1725 115.3399 58.3507 30.3595 173.1088 15 T 4.5721 7.4458 117.0504 62.5255 72.6957 172.5875 16 P 4.5598 0.0000 0.0000 61.6479 32.4303 175.2076 17 Y 4.8398 8.8847 119.9081 57.8788 38.9586 175.0996 18 D 4.6063 9.2682 125.7344 52.7686 43.9435 175.9112 19 E 3.8361 8.7506 122.2394 57.7777 29.3741 177.5825 20 S 4.5989 7.8205 112.3135 57.6785 63.4744 173.2855 21 K 4.4716 10.0502 120.8349 54.8116 34.1331 174.6377 22 F 5.1777 7.8456 120.4700 55.4410 40.7817 174.0867 23 Y 5.5979 9.0147 117.9028 55.5041 42.2891 174.2056 24 I 4.7089 8.0771 112.5478 59.6697 40.8468 174.1721 25 G 4.2895 8.9794 114.2368 45.1286 0.0000 173.1896 26 C 4.3172 10.2030 125.7290 57.2518 43.9676 174.1357 27 D 3.9775 8.3063 123.9771 56.6458 41.0773 176.9113 28 R 4.3641 7.8197 117.3122 56.9590 31.2779 175.5871 29 C 4.3675 8.0488 111.4258 55.4311 42.4596 173.9345 30 Q 3.5535 8.9811 117.8303 56.3646 26.7042 172.1243 31 N 3.1400 7.1512 114.3678 50.7925 41.3284 172.3684 32 W 5.3146 5.9408 114.8513 54.0803 31.0063 174.1956 33 Y 5.2608 7.8494 117.3937 56.5843 42.7518 174.0121 34 H 4.4003 7.7330 117.4890 55.0069 29.7592 176.8397 35 G 3.9455 7.3909 112.1499 48.8935 0.0000 175.8625 36 R 4.3203 7.8286 116.1466 57.8989 30.0431 177.7837 37 C 3.3967 8.1917 119.1468 61.7624 31.4193 174.5627 38 V 4.1831 7.6286 109.5934 60.4603 32.1305 175.1787 39 G 3.7044 8.8758 107.9291 47.1108 0.0000 173.2110 40 I 4.5226 7.7827 117.6145 58.1215 40.9940 174.3198 41 L 4.2677 8.2196 123.0267 54.7553 42.2154 178.3887 42 Q 4.0708 8.6044 120.0872 59.5591 29.1180 177.9396 43 S 4.0231 7.9106 112.9633 60.3847 62.2561 175.1850 44 E 3.3736 8.2629 120.0582 59.5727 29.1761 178.6679 45 A 4.1899 7.4821 120.3718 54.5718 18.6893 178.8309 46 E 4.1852 8.9274 119.0006 58.6895 29.8139 178.4148 47 L 4.3986 6.9771 112.7951 56.2743 40.1196 176.1633 48 I 4.6186 7.2308 118.9721 60.1353 40.2786 174.6121 49 D 4.6192 8.4159 121.3408 53.9662 42.0176 176.5363 50 E 4.7168 8.2771 112.0812 56.9802 32.2227 174.9500 51 Y 4.2044 8.0611 121.2194 57.5982 39.5168 174.8007 52 V 4.4316 6.4360 123.7313 60.0596 35.1338 174.4602 53 C 5.4392 8.4623 119.8322 54.0589 39.4119 172.8011 54 P 3.5336 0.0000 0.0000 65.4485 30.9980 178.4511 55 Q 3.9044 7.8382 118.9973 58.6996 29.3523 176.1969 56 C 4.4213 7.9626 114.6738 58.3330 43.3594 175.3727 57 Q 3.6971 8.6551 123.4614 58.6943 28.5758 178.1044 58 S 4.0361 7.8126 114.5715 61.8682 61.9897 176.5100 59 T 4.0060 7.8607 111.4635 64.8056 68.6474 176.2841 60 E 3.9368 8.3908 121.0193 57.6879 29.8185 177.1952 61 D 4.1364 8.6244 115.7872 55.4007 39.1978 173.8007 62 A 4.0908 8.0713 128.9377 53.9231 18.7370 177.3286 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 3.93 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 2 P 0.00 4.09 0.00 2.13 2.02 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 3 L 8.55 4.70 0.00 1.60 1.55 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.99 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 0.00 0.00 0.00 5 S 7.66 4.60 0.00 3.81 3.72 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 6 D 8.63 4.60 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 4.73 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 1.26 0.00 0.00 8 K 8.27 4.65 0.00 1.81 1.80 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.37 7.81 9 L 7.83 4.61 0.00 1.40 1.53 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.82 4.73 0.00 3.29 2.68 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 0.00 0.00 0.00 0.00 11 C 10.05 4.28 0.00 2.83 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.75 3.77 1.79 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.63 0.52 0.00 0.00 13 C 8.01 4.65 0.00 3.17 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 3.74 0.00 1.99 1.92 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.47 7.81 15 T 7.45 4.57 4.55 0.00 0.00 0.00 0.00 0.00 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 16 P 0.00 4.56 0.00 2.16 2.04 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 17 Y 8.88 4.84 0.00 3.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.27 4.61 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 3.84 0.00 1.84 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 1.91 1.97 0.00 20 S 7.82 4.60 0.00 3.81 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 21 K 10.05 4.47 0.00 1.80 1.48 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.40 0.73 7.81 22 F 7.85 5.18 0.00 3.21 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 23 Y 9.01 5.60 0.00 2.80 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.08 4.71 0.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.07 0.73 0.00 0.00 25 G 8.98 4.29 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 0.00 26 C 10.20 4.32 0.00 3.28 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 27 D 8.31 3.98 0.00 2.97 2.65 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 28 R 7.82 4.36 0.00 1.76 1.87 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 29 C 8.05 4.37 0.00 3.08 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.98 3.55 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 31 N 7.15 3.14 0.00 2.15 2.43 0.00 0.00 5.55 8.92 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 32 W 5.94 5.31 0.00 3.01 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 33 Y 7.85 5.26 0.00 2.88 2.84 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 0.00 0.00 0.00 34 H 7.73 4.40 0.00 2.90 2.58 0.00 5.95 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.39 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 0.00 0.00 0.00 36 R 7.83 4.32 0.00 2.04 2.26 0.00 3.04 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 37 C 8.19 3.40 0.00 2.68 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.63 4.18 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 0.46 0.00 0.00 1.13 0.00 0.00 39 G 8.88 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 0.00 0.00 0.00 40 I 7.78 4.52 2.07 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.14 1.01 0.00 0.00 41 L 8.22 4.27 0.00 1.72 1.63 0.95 0.92 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 42 Q 8.60 4.07 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.21 0.00 0.00 0.00 0.00 0.00 2.27 2.02 0.00 43 S 7.91 4.02 0.00 3.86 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 44 E 8.26 3.37 0.00 2.15 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 0.00 2.39 2.45 0.00 45 A 7.48 4.19 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 46 E 8.93 4.19 0.00 1.92 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 2.26 2.29 0.00 47 L 6.98 4.40 0.00 1.83 1.76 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.23 4.62 2.25 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 1.05 0.00 0.00 49 D 8.42 4.62 0.00 2.63 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 50 E 8.28 4.72 0.00 2.00 1.91 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 2.24 2.30 0.00 51 Y 8.06 4.20 0.00 3.11 2.91 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 52 V 6.44 4.43 1.95 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 0.82 0.00 0.00 0.88 0.00 0.00 53 C 8.46 5.44 0.00 3.53 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 54 P 0.00 3.53 0.00 2.17 2.26 0.00 3.41 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 55 Q 7.84 3.90 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 56 C 7.96 4.42 0.00 3.13 3.27 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 57 Q 8.66 3.70 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 58 S 7.81 4.04 0.00 4.03 3.84 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 0.00 0.00 0.00 59 T 7.86 4.01 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 1.22 0.00 0.00 60 E 8.39 3.94 0.00 2.07 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 2.28 0.00 61 D 8.62 4.14 0.00 2.89 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 62 A 8.07 4.09 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