NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2911 8.4331 120.2170 56.5138 30.2055 174.0746 5 G 4.0310 8.1644 115.4356 44.5499 0.0000 169.3070 6 Y 5.8992 9.3424 117.8542 56.7943 43.6107 173.2619 7 Q 4.8729 9.2787 120.5339 54.7108 33.1761 174.0044 8 Y 5.3887 7.9724 120.7282 56.2639 42.4426 174.4732 9 R 5.0182 8.3833 118.2030 54.4338 33.7011 175.8118 10 A 4.7906 8.6808 125.4940 51.4242 18.5152 178.1047 11 L 3.8536 8.9467 123.2399 58.0620 42.3993 177.3444 12 Y 4.5905 8.0778 115.0842 56.1348 40.4877 173.8087 13 D 5.1824 8.7326 119.2756 52.0720 41.8272 174.7625 14 Y 4.8789 8.5631 121.6223 55.9623 42.1522 174.1857 15 K 4.0070 8.0141 121.2087 56.2847 34.1724 175.0952 16 K 5.5383 6.1940 135.0000 56.8205 33.3417 173.6758 17 E 4.2439 8.8143 127.1411 58.0566 30.4713 177.0286 18 R 4.1576 8.1257 118.9354 55.8256 30.6217 176.3221 19 E 4.5687 8.4572 117.6510 56.7482 29.4274 177.5191 20 E 4.8375 8.5217 115.2524 57.6761 33.5965 174.6821 21 D 5.8500 8.6178 120.5085 51.9216 41.9999 174.9659 22 I 4.7527 8.3064 112.3443 58.6953 40.3334 174.4034 23 D 5.1348 8.8314 123.9596 54.6720 41.2951 175.7991 24 L 4.5643 8.5626 125.8014 54.0090 45.0649 174.8258 25 H 5.2671 8.2797 118.4882 54.0395 33.4305 172.8727 26 L 4.8873 8.1578 122.9766 56.5858 42.1085 177.4061 27 G 3.9357 9.0095 112.9754 45.2780 0.0000 172.4189 28 D 5.2619 7.8959 120.1045 52.6877 42.6759 175.6411 29 I 4.6939 8.1584 123.2605 60.1044 39.5887 174.7138 30 L 4.7739 8.1621 125.0484 53.2898 44.7974 176.2007 31 T 4.4374 8.6162 122.7557 62.6417 68.7272 173.1807 32 V 4.6125 8.1686 126.5788 60.1056 33.0200 175.3251 33 N 4.6460 8.9450 125.7517 53.4902 38.6563 174.9594 34 K 4.9799 7.7363 116.1129 56.7206 33.5404 178.4482 35 G 3.7320 7.8475 109.3178 47.7943 0.0000 176.1412 36 S 4.0837 8.1364 114.4380 60.5144 63.0779 175.2927 37 L 3.9832 7.8566 121.6685 56.9703 42.5171 177.7219 38 V 3.9733 7.4010 114.6892 63.3818 31.4588 177.0716 39 A 4.1451 7.9894 122.1277 55.2224 18.3160 178.5511 40 L 4.4033 7.5918 114.0225 55.2757 42.5957 177.0275 41 G 4.1181 8.5070 107.6836 45.3787 0.0000 173.9037 42 F 3.8083 8.7947 117.6643 57.6563 39.6281 175.7426 43 S 4.4439 8.3660 119.1162 57.5377 63.6891 173.1728 44 D 4.6111 8.4055 121.8772 56.2844 41.2175 176.0183 45 G 3.9314 8.9721 115.5936 45.5031 0.0000 174.9100 46 Q 3.9327 8.1023 120.9067 58.9331 29.4372 177.8566 47 E 3.7189 7.9103 117.8477 58.3295 29.7699 177.7265 48 A 2.9457 7.0015 120.0480 53.0504 18.9421 177.6483 49 R 4.4789 7.2707 116.8617 53.1575 29.9482 173.9234 50 P 4.0696 0.0000 0.0000 65.0338 31.8952 178.6193 51 E 3.8423 8.0885 114.2719 58.6663 29.4989 176.9508 52 E 4.7377 7.7854 119.8021 55.6028 29.7411 175.6167 53 I 4.5364 8.4850 119.0287 63.8490 40.2630 176.3464 54 G 4.2885 7.5934 111.0428 44.4453 0.0000 172.5089 55 W 5.0458 7.7756 119.9912 53.9833 33.8821 174.3779 56 L 4.7725 8.0381 121.9800 52.8523 45.4245 175.1640 57 N 6.1003 8.4204 120.4294 51.7314 41.1333 172.5334 58 G 5.1605 8.8113 116.8080 45.1592 0.0000 168.7336 59 Y 4.9166 8.4268 121.9756 55.7732 41.5449 176.9255 60 N 5.4530 8.0379 126.0149 50.9633 37.1944 175.2983 61 E 4.0233 8.1885 121.7533 59.7490 30.6251 179.7616 62 T 3.7888 8.0683 114.9189 66.7669 68.4210 175.1458 63 T 4.2732 7.7461 111.6196 60.8453 67.7977 173.9720 64 G 4.1489 7.7417 107.5015 46.7756 0.0000 172.3766 65 E 4.7048 6.7381 117.3177 54.9054 33.9845 174.7434 66 R 4.9065 7.6784 113.7514 55.0498 32.4822 175.2935 67 G 3.9724 7.7274 105.0180 46.5542 0.0000 171.4850 68 D 5.8500 8.0107 119.3021 52.7739 43.8409 175.5916 69 F 4.5164 7.9714 111.9621 55.1956 40.9402 171.5042 70 P 3.2691 0.0000 0.0000 62.3312 31.6008 177.9747 71 G 3.4959 8.1693 113.9017 48.1241 0.0000 175.1780 72 T 4.1310 7.7650 108.0723 63.3012 69.2209 174.2372 73 Y 4.4437 8.1088 119.3304 58.4446 39.4734 175.2163 74 V 5.6944 7.6896 112.5807 59.5750 35.3522 175.6829 75 E 4.6058 8.8952 117.9491 55.8149 30.9350 173.2579 76 Y 4.5050 8.5369 127.8999 59.0177 39.6528 176.3719 77 I 4.4388 8.2325 123.1210 60.3028 39.7563 174.7800 78 G 4.9858 5.3800 106.9273 42.6121 0.0000 173.9583 79 R 4.4467 8.4160 116.0671 56.4648 29.5011 176.6047 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 4 E 8.43 4.29 0.00 1.93 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 2.22 2.27 0.00 5 G 8.16 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 0.00 0.00 0.00 6 Y 9.34 5.90 0.00 3.46 3.47 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 0.00 0.00 0.00 0.00 7 Q 9.28 4.87 0.00 2.14 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 8 Y 7.97 5.39 0.00 2.96 2.89 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 9 R 8.38 5.02 0.00 1.70 1.79 0.00 3.10 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 10 A 8.68 4.79 1.40 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 0.00 0.00 11 L 8.95 3.85 0.00 1.00 1.43 1.25 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.08 4.59 0.00 2.93 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 13 D 8.73 5.18 0.00 2.86 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 14 Y 8.56 4.88 0.00 2.85 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 15 K 8.01 4.01 0.00 1.65 1.39 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.36 7.81 16 K 6.19 5.54 0.00 1.91 1.82 0.00 1.67 0.00 0.00 2.44 0.00 0.00 3.15 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.32 7.81 17 E 8.81 4.24 0.00 2.24 2.16 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 2.33 2.28 0.00 18 R 8.13 4.16 0.00 1.71 1.54 0.00 2.81 0.00 0.00 2.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 19 E 8.46 4.57 0.00 2.10 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 2.23 2.27 0.00 20 E 8.52 4.84 0.00 1.78 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 2.21 2.38 0.00 21 D 8.62 5.85 0.00 3.15 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.75 1.85 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 1.38 0.87 0.97 0.00 0.00 23 D 8.83 5.13 0.00 2.61 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 24 L 8.56 4.56 0.00 1.92 1.66 0.78 0.66 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 25 H 8.28 5.27 0.00 3.32 3.12 0.00 5.90 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.16 4.89 0.00 1.67 1.61 0.83 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.01 3.94 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 0.00 0.00 0.00 28 D 7.90 5.26 0.00 2.86 2.71 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 29 I 8.16 4.69 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.20 0.88 0.00 0.00 30 L 8.16 4.77 0.00 1.10 0.89 0.71 -1.57 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 31 T 8.62 4.44 4.28 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 1.21 0.00 0.00 32 V 8.17 4.61 2.31 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 1.38 0.00 0.00 1.16 0.00 0.00 33 N 8.94 4.65 0.00 2.76 2.74 0.00 0.00 7.15 7.58 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 34 K 7.74 4.98 0.00 1.74 0.96 0.00 1.46 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.23 7.81 35 G 7.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.08 0.00 4.02 4.09 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 0.00 0.00 0.00 0.00 37 L 7.86 3.98 0.00 1.72 1.51 0.91 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.40 3.97 2.25 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 0.93 0.00 0.00 1.13 0.00 0.00 39 A 7.99 4.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.40 0.00 2.05 1.81 1.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.51 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 0.00 0.00 0.00 42 F 8.79 3.81 0.00 2.99 3.10 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 0.00 0.00 0.00 0.00 43 S 8.37 4.44 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.41 4.61 0.00 2.65 2.61 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 0.00 0.00 0.00 0.00 45 G 8.97 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 46 Q 8.10 3.93 0.00 2.43 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 47 E 7.91 3.72 0.00 1.77 1.12 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 2.54 2.10 0.00 48 A 7.00 2.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.27 4.48 0.00 1.74 1.72 0.00 3.07 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 50 P 0.00 4.07 0.00 2.29 1.74 0.00 3.60 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 2.03 1.60 0.00 51 E 8.09 3.84 0.00 2.01 2.11 0.00 0.00 0.00 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 2.36 0.00 52 E 7.79 4.74 0.00 1.90 1.98 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 2.18 2.21 0.00 53 I 8.48 4.54 1.91 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.97 0.98 0.00 0.00 54 G 7.59 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 55 W 7.78 5.05 0.00 3.01 3.22 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 0.00 56 L 8.04 4.77 0.00 1.10 1.62 0.58 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.42 6.10 0.00 3.03 2.78 0.00 0.00 7.42 8.34 0.00 0.00 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 G 8.81 5.16 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 0.00 59 Y 8.43 4.92 0.00 3.03 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 60 N 8.04 5.45 0.00 2.50 2.49 0.00 0.00 6.77 7.08 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 61 E 8.19 4.02 0.00 2.05 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 2.88 2.55 0.00 62 T 8.07 3.79 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 1.24 0.00 0.00 63 T 7.75 4.27 4.23 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 1.16 0.00 0.00 64 G 7.74 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 6.74 4.70 0.00 1.77 1.76 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 2.41 2.17 0.00 66 R 7.68 4.91 0.00 2.29 2.17 0.00 3.24 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 67 G 7.73 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 68 D 8.01 5.85 0.00 2.96 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 69 F 7.97 4.52 0.00 2.81 2.99 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 70 P 0.00 3.27 0.00 1.35 1.08 0.00 2.69 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 71 G 8.17 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 72 T 7.76 4.13 4.15 0.00 0.00 0.00 0.00 0.00 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 73 Y 8.11 4.44 0.00 3.05 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.69 5.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.37 0.00 0.00 75 E 8.90 4.61 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.35 0.00 76 Y 8.54 4.50 0.00 2.71 2.97 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 77 I 8.23 4.44 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.81 0.88 0.00 0.00 78 G 5.38 4.99 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 79 R 8.42 4.45 0.00 2.05 2.18 0.00 3.16 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00