NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.9523 8.1293 121.6780 57.9336 38.5980 174.2245 2 D 4.3348 8.5081 124.8774 51.7790 40.4596 176.0595 3 G 3.8900 8.8813 109.4802 45.8443 0.0000 175.2301 4 Q 4.1758 8.4051 117.5227 56.0248 28.9523 175.3709 5 N 4.6123 7.9759 117.8068 52.0921 38.5369 173.6075 6 C 5.1895 8.2843 122.6600 54.1421 41.2008 174.0021 7 K 4.0332 8.9897 125.5140 58.9356 31.9607 176.9124 8 E 4.7767 7.7234 113.8685 53.5086 32.7176 172.5171 9 P 4.4256 0.0000 0.0000 64.0584 31.6557 177.0582 10 G 3.9631 9.3574 110.5010 45.8781 0.0000 173.6358 11 N 4.9356 8.1683 118.8613 51.7603 39.0677 173.4679 12 C 5.2661 8.3454 115.0522 54.8174 41.4966 174.2323 13 W 4.3571 8.0301 129.7907 57.6758 30.9278 174.8911 14 E 3.8585 5.9000 121.4218 54.0831 32.9424 174.9928 15 N 3.8823 7.3347 119.2875 52.2917 38.4259 175.1404 16 K 4.1600 8.1382 119.5691 55.1166 33.0591 174.6794 17 P 4.4281 0.0000 0.0000 65.5020 31.2398 176.7680 18 G 3.9384 9.1901 111.6069 45.1250 0.0000 172.2264 19 Y 4.8226 8.0923 117.6258 54.8940 40.3149 173.9679 20 P 4.4812 0.0000 0.0000 63.3890 31.7192 175.5891 21 E 4.5223 8.7302 118.8972 57.0251 30.3533 176.4075 22 K 4.6909 7.7860 117.0326 54.3797 35.6229 176.1846 23 I 3.9326 8.5348 124.4561 64.0314 37.5053 176.5439 24 A 4.3694 7.8018 122.0375 53.6418 18.5417 177.8209 25 G 3.9320 9.4925 110.7476 45.4237 0.0000 173.8169 26 S 4.5655 7.5245 114.8578 56.3455 64.7972 174.8745 27 K 4.1007 8.1595 118.1087 58.6053 32.2969 176.9839 28 Y 4.8611 7.9135 117.0250 57.7505 38.2497 175.0084 29 D 4.4715 7.9000 121.2525 53.4272 41.2840 174.7550 30 P 4.2400 0.0000 0.0000 63.8450 31.5169 176.8879 31 K 4.3222 8.4142 116.8400 56.9710 30.2352 174.7219 32 H 4.0686 7.0697 113.7166 56.5321 29.4895 174.8912 33 D 4.7345 8.5336 121.4472 52.2508 42.4226 175.0635 34 P 4.2054 0.0000 0.0000 66.0929 31.2440 178.7195 35 V 3.6266 7.8726 114.6658 65.8865 31.3223 177.1596 36 E 4.0710 8.0113 118.7911 59.1694 29.3510 178.6021 37 L 3.9849 7.6487 118.2717 57.4829 41.9843 178.5062 38 N 4.6020 8.0549 114.6187 54.0713 38.7819 177.1752 39 K 3.8264 7.5869 120.6258 59.9414 32.2014 178.7857 40 Q 3.9959 8.0462 117.3017 58.8682 28.6118 178.4156 41 E 3.9035 8.0841 119.7937 59.3333 29.8273 178.4890 42 E 3.9391 8.1162 118.6226 59.3729 29.5091 179.2377 43 S 4.0859 7.9846 113.0159 61.6549 62.4791 176.4138 44 I 3.7522 7.7475 122.4267 63.9561 36.8757 178.2527 45 K 3.8490 8.2588 120.4454 59.8439 32.1345 178.0384 46 A 3.9103 8.0150 120.5871 55.9688 18.2387 179.0036 47 M 3.9445 8.3345 115.1741 58.8012 32.4497 178.5229 48 D 4.3391 8.3015 118.6961 57.4482 41.0765 178.7276 49 A 4.0433 7.9348 120.7765 54.9103 18.2824 180.0217 50 R 3.7891 7.7819 116.7858 59.6124 30.1318 179.0365 51 N 4.4755 8.2507 115.9793 56.0657 38.4751 177.4314 52 A 4.0441 7.8540 122.1923 54.7554 18.3635 179.5951 53 K 3.8322 8.0975 118.3825 59.4303 32.0137 179.1331 54 R 3.5726 8.1112 118.5518 59.4242 30.1678 178.4213 55 I 3.9360 8.1743 112.8560 63.4719 37.5927 178.0336 56 A 4.0663 8.0417 123.0057 54.9154 18.0929 179.2484 57 N 4.7509 7.5896 111.6846 53.6243 39.0115 176.0797 58 A 4.5652 8.4586 123.9099 52.5268 21.7581 179.3476 59 K 4.1194 7.8703 116.2224 58.6370 32.4830 177.8244 60 S 4.4967 7.9769 112.3343 59.6576 64.1637 175.5153 61 S 4.2657 8.0026 114.6797 61.6635 63.4058 174.9035 62 G 3.9648 7.4135 107.0022 44.4630 0.0000 172.9205 63 N 4.8771 7.6668 118.3384 51.3180 40.1524 173.7524 64 F 4.2754 8.8520 128.8268 57.8256 40.2396 174.7307 65 V 4.5265 7.1592 126.1128 60.0226 34.0972 174.9775 66 F 4.2531 9.1901 126.6696 61.1154 39.9790 176.2319 67 D 4.7143 8.1100 119.4505 54.1441 38.4580 174.8682 68 V 4.1428 8.4040 120.7858 60.4706 33.9742 175.3680 69 K 3.9351 8.5365 123.9843 56.1792 32.5727 174.5821 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 Y 8.13 4.95 0.00 2.65 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 2 D 8.51 4.33 0.00 2.78 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 3 G 8.88 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 0.00 0.00 0.00 4 Q 8.41 4.18 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 5 N 7.98 4.61 0.00 2.74 2.93 0.00 0.00 7.07 7.65 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 6 C 8.28 5.19 0.00 3.01 3.39 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 7 K 8.99 4.03 0.00 1.79 1.94 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.52 7.81 8 E 7.72 4.78 0.00 2.10 2.00 0.00 0.00 0.00 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 2.35 0.00 9 P 0.00 4.43 0.00 2.08 2.05 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 10 G 9.36 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 0.00 0.00 0.00 11 N 8.17 4.94 0.00 2.81 2.80 0.00 0.00 7.04 7.78 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 12 C 8.35 5.27 0.00 3.09 3.25 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 13 W 8.03 4.36 0.00 3.25 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 14 E 5.90 3.86 0.00 1.22 1.31 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 2.04 2.32 0.00 15 N 7.33 3.88 0.00 3.04 2.92 0.00 0.00 6.14 7.13 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 16 K 8.14 4.16 0.00 1.63 1.84 0.00 1.44 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.54 1.47 7.81 17 P 0.00 4.43 0.00 2.09 2.06 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 18 G 9.19 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 19 Y 8.09 4.82 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.48 0.00 2.46 2.18 0.00 4.17 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 21 E 8.73 4.52 0.00 2.03 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 0.00 2.36 2.64 0.00 22 K 7.79 4.69 0.00 1.77 1.69 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.46 7.81 23 I 8.53 3.93 1.88 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.28 0.92 0.00 0.00 24 A 7.80 4.37 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.49 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 26 S 7.52 4.57 0.00 3.99 4.07 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 27 K 8.16 4.10 0.00 1.63 1.76 0.00 1.24 0.00 0.00 1.42 0.00 0.00 2.60 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.85 0.21 7.81 28 Y 7.91 4.86 0.00 3.01 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 29 D 7.90 4.47 0.00 2.92 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 30 P 0.00 4.24 0.00 1.60 2.11 0.00 3.88 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 31 K 8.41 4.32 0.00 1.87 1.91 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.53 7.81 32 H 7.07 4.07 0.00 2.97 3.24 0.00 5.64 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 33 D 8.53 4.73 0.00 2.79 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 34 P 0.00 4.21 0.00 2.19 2.11 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 35 V 7.87 3.63 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 0.83 0.00 0.00 0.93 0.00 0.00 36 E 8.01 4.07 0.00 2.17 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 2.37 2.45 0.00 37 L 7.65 3.98 0.00 1.84 1.70 0.90 0.99 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 38 N 8.05 4.60 0.00 2.81 2.84 0.00 0.00 6.91 7.24 0.00 0.00 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 K 7.59 3.83 0.00 1.90 1.89 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.72 7.81 40 Q 8.05 4.00 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 41 E 8.08 3.90 0.00 2.02 2.14 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 2.37 2.39 0.00 42 E 8.12 3.94 0.00 2.21 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 2.33 2.52 0.00 43 S 7.98 4.09 0.00 3.91 4.10 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 44 I 7.75 3.75 1.87 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 1.41 0.59 0.94 0.00 0.00 45 K 8.26 3.85 0.00 1.90 1.99 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 46 A 8.02 3.91 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 47 M 8.33 3.94 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 48 D 8.30 4.34 0.00 3.13 2.70 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 49 A 7.93 4.04 1.36 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 0.00 0.00 50 R 7.78 3.79 0.00 2.03 1.85 0.00 3.04 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 51 N 8.25 4.48 0.00 2.79 2.90 0.00 0.00 6.97 7.30 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 52 A 7.85 4.04 1.31 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 53 K 8.10 3.83 0.00 2.06 1.78 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.39 7.81 54 R 8.11 3.57 0.00 1.82 1.95 0.00 2.68 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 0.00 55 I 8.17 3.94 1.98 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 1.47 0.68 1.08 0.00 0.00 56 A 8.04 4.07 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 57 N 7.59 4.75 0.00 2.66 2.76 0.00 0.00 6.78 8.66 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 58 A 8.46 4.57 1.29 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 59 K 7.87 4.12 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.44 7.81 60 S 7.98 4.50 0.00 4.00 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 61 S 8.00 4.27 0.00 3.99 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 62 G 7.41 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 0.00 0.00 0.00 63 N 7.67 4.88 0.00 2.64 2.73 0.00 0.00 7.11 8.36 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 64 F 8.85 4.28 0.00 3.11 2.92 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 65 V 7.16 4.53 2.07 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 0.66 0.00 0.00 0.92 0.00 0.00 66 F 9.19 4.25 0.00 3.34 3.17 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 67 D 8.11 4.71 0.00 2.80 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 68 V 8.40 4.14 1.93 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 0.73 0.00 0.00 0.76 0.00 0.00 69 K 8.54 3.94 0.00 1.79 1.78 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.17 1.12 7.81