NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9219 8.3549 109.7352 44.5265 0.0000 177.1097 3 K 3.7203 8.8407 123.0519 55.5431 32.3738 170.3675 4 V 4.4530 8.6077 121.9600 61.4073 35.6222 173.5707 5 Y 5.0459 8.8354 124.2440 56.2114 40.8370 174.6874 6 K 4.5477 8.1177 122.1254 54.4935 35.4783 174.7563 7 K 5.0392 8.4939 124.3508 54.6853 34.5679 175.8247 8 V 4.5153 8.6452 117.8123 59.4977 35.0451 174.2862 9 E 4.9440 8.7193 124.8046 55.0649 30.4795 174.9976 10 L 4.8829 8.9167 126.6901 52.8463 45.9127 175.8529 11 V 4.7016 8.2440 119.9420 61.2034 33.5610 175.2047 12 G 4.1331 8.7332 116.3499 45.9596 0.0000 171.8844 13 T 5.3739 8.0876 111.2091 60.1670 72.1841 172.8509 14 S 4.6741 8.6922 115.5774 57.9256 65.9618 175.4016 15 E 4.5272 8.9135 123.0267 57.1792 30.0793 177.9821 16 E 4.1558 8.5290 118.8636 57.4547 29.9359 176.5689 17 G 3.3041 7.1422 104.4800 44.2461 0.0000 173.4471 18 L 3.7642 7.2965 118.1040 57.8219 41.5043 179.1968 19 E 3.8853 8.1220 117.7750 59.7161 29.4064 179.3874 20 A 3.9302 7.9233 119.6126 54.7857 18.3601 179.4793 21 A 3.8801 7.6083 119.5816 55.3847 18.5443 179.7884 22 I 3.4874 7.6193 118.2807 64.7708 37.1180 178.6497 23 Q 3.8993 8.1771 118.5591 58.8257 28.4386 179.0229 24 A 3.9100 7.9961 121.5769 55.0196 18.3647 179.5054 25 A 3.8734 7.6891 118.9118 55.4070 18.4841 179.9425 26 L 3.8253 7.8931 117.2359 57.7330 41.3956 179.6119 27 A 3.9701 8.0874 120.5218 54.9273 18.6257 179.3648 28 R 3.9404 8.0156 117.1791 59.1802 30.1658 178.2361 29 A 3.8899 8.1448 121.0370 55.3597 18.1971 179.3050 30 R 3.9596 7.7536 114.0439 58.1059 30.2171 178.1199 31 K 4.1671 7.7330 117.3368 59.0082 32.2300 177.5112 32 T 4.4928 7.7556 105.7551 60.6115 70.6279 173.5955 33 L 4.5203 7.7576 121.9045 52.7355 43.8565 175.8640 34 R 4.5302 7.9560 120.3952 55.6793 33.0667 174.9299 35 H 4.2083 8.5692 114.1328 56.8223 25.9953 175.1076 36 L 4.4883 8.1788 119.0351 55.5101 42.1068 175.7738 37 D 5.2042 9.2301 122.6681 55.2664 43.0185 176.1906 38 W 5.5636 7.8776 113.1970 55.2709 32.0800 172.9326 39 F 5.3008 8.3737 113.7562 55.3885 40.6961 173.5636 40 E 4.7588 9.2337 119.6085 54.5971 33.0370 175.1084 41 V 4.3254 8.6407 124.4958 62.8140 31.8550 175.2247 42 K 4.5311 9.4917 127.5242 57.7829 33.8733 176.7165 43 E 4.8458 7.9708 116.9724 54.7177 34.3986 174.4332 44 I 5.0754 8.4355 122.2882 59.8321 40.1380 174.6379 45 A 4.6606 8.8109 128.1557 51.9084 23.1012 174.0634 46 G 4.1703 8.0406 103.2133 46.8993 0.0000 172.8385 47 T 4.7923 8.0666 109.9283 59.8868 71.8469 173.4843 48 I 4.7375 8.2528 122.7169 59.8276 39.9968 175.3613 49 G 4.3298 8.8501 116.5596 44.1981 0.0000 172.7686 50 E 3.9786 8.8949 117.3349 58.5508 29.6691 177.4750 51 A 4.5852 7.9673 119.9138 51.7594 20.4563 176.4948 52 G 3.9708 7.7980 104.6471 44.2900 0.0000 176.2598 53 V 3.7567 8.2376 125.5584 63.3096 31.9238 175.1570 54 K 4.1735 9.0018 129.3354 58.4547 33.5126 176.0067 55 E 4.6189 7.5806 120.6190 54.5600 33.0119 173.7364 56 Y 4.5977 8.9894 125.5360 57.9676 39.6114 174.7098 57 Q 4.9694 9.5043 122.5561 54.1883 32.6191 174.3961 58 V 4.6711 8.7752 125.0710 60.9507 34.0675 174.5883 59 V 4.4899 8.6115 129.5571 62.3993 32.4679 174.8053 60 L 5.3848 9.1227 127.7920 54.1623 44.5171 174.9064 61 E 4.9476 9.2020 120.3553 55.0201 31.8178 175.0535 62 V 4.4648 8.9306 124.9007 61.0177 34.0191 174.3378 63 G 3.3099 7.9305 115.6136 44.0572 0.0000 172.3353 64 F 5.6237 8.4167 118.0371 55.0893 41.8995 173.4270 65 R 4.2933 8.8039 121.8187 55.9869 30.5903 176.0157 66 L 4.3446 8.2502 127.0101 54.6382 42.4939 177.2657 67 E 4.3326 8.6692 122.8776 55.4409 31.0982 176.6702 68 E 4.1673 8.5131 118.1255 57.0282 29.6583 176.9422 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 2 G 8.35 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 3 K 8.84 3.72 0.00 1.63 1.48 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.51 7.81 4 V 8.61 4.45 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 1.00 0.00 0.00 0.95 0.00 0.00 5 Y 8.84 5.05 0.00 3.01 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 6 K 8.12 4.55 0.00 1.51 0.74 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 1.27 7.81 7 K 8.49 5.04 0.00 1.63 1.63 0.00 2.01 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.09 1.40 7.81 8 V 8.65 4.52 2.13 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 0.85 0.00 0.00 1.03 0.00 0.00 9 E 8.72 4.94 0.00 1.98 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 0.00 2.23 2.34 0.00 10 L 8.92 4.88 0.00 1.56 1.48 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.24 4.70 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 8.73 4.13 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 0.00 13 T 8.09 5.37 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 1.22 0.00 0.00 14 S 8.69 4.67 0.00 3.92 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 15 E 8.91 4.53 0.00 2.03 2.02 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 2.47 2.30 0.00 16 E 8.53 4.16 0.00 1.96 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 0.00 2.34 2.27 0.00 17 G 7.14 3.30 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 0.00 18 L 7.30 3.76 0.00 1.55 1.64 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.12 3.89 0.00 1.98 1.97 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 2.39 2.44 0.00 20 A 7.92 3.93 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 21 A 7.61 3.88 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 3.49 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.78 0.35 0.00 0.00 23 Q 8.18 3.90 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 24 A 8.00 3.91 1.37 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 0.00 0.00 0.00 25 A 7.69 3.87 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 26 L 7.89 3.83 0.00 1.73 1.63 0.51 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.09 3.97 1.33 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 28 R 8.02 3.94 0.00 1.92 2.03 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.14 3.89 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 30 R 7.75 3.96 0.00 1.78 2.10 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 31 K 7.73 4.17 0.00 1.93 1.81 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 32 T 7.76 4.49 4.17 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 0.00 0.00 1.17 0.00 0.00 33 L 7.76 4.52 0.00 1.40 0.93 0.43 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.96 4.53 0.00 1.66 1.52 0.00 3.26 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 35 H 8.57 4.21 0.00 3.66 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.18 4.49 0.00 1.67 1.67 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.23 5.20 0.00 2.99 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 38 W 7.88 5.56 0.00 3.26 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 39 F 8.37 5.30 0.00 3.02 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 40 E 9.23 4.76 0.00 1.98 1.92 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 2.35 2.51 0.00 41 V 8.64 4.33 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 0.84 0.00 0.00 1.12 0.00 0.00 42 K 9.49 4.53 0.00 1.76 1.85 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.57 7.81 43 E 7.97 4.85 0.00 1.88 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 44 I 8.44 5.08 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.65 1.00 0.00 0.00 45 A 8.81 4.66 1.21 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 0.00 0.00 46 G 8.04 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.07 4.79 4.20 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 1.18 0.00 0.00 48 I 8.25 4.74 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.91 0.00 0.00 49 G 8.85 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 50 E 8.89 3.98 0.00 1.96 2.02 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 2.30 2.24 0.00 51 A 7.97 4.59 1.25 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 0.00 0.00 52 G 7.80 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 0.00 0.00 0.00 53 V 8.24 3.76 1.81 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 -0.25 0.00 0.00 0.64 0.00 0.00 54 K 9.00 4.17 0.00 1.81 1.80 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.35 7.81 55 E 7.58 4.62 0.00 2.10 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 0.00 2.20 2.27 0.00 56 Y 8.99 4.60 0.00 3.04 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 57 Q 9.50 4.97 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.78 4.67 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 0.97 0.00 0.00 0.96 0.00 0.00 59 V 8.61 4.49 2.19 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 0.94 0.00 0.00 1.00 0.00 0.00 60 L 9.12 5.38 0.00 1.97 1.77 0.89 0.49 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 61 E 9.20 4.95 0.00 1.89 1.88 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 2.28 2.42 0.00 62 V 8.93 4.46 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 0.92 0.00 0.00 0.89 0.00 0.00 63 G 7.93 3.31 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 0.00 0.00 0.00 0.00 64 F 8.42 5.62 0.00 3.24 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 65 R 8.80 4.29 0.00 1.98 1.94 0.00 3.09 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.12 0.00 66 L 8.25 4.34 0.00 1.61 1.55 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.67 4.33 0.00 2.01 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 0.00 2.39 2.46 0.00 68 E 8.51 4.17 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00