NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.9954 8.3698 121.0745 58.0048 38.5857 174.1708 2 D 4.2379 8.3452 122.7204 51.6065 40.2355 176.4845 3 G 3.8392 8.7469 108.9983 46.1462 0.0000 175.2030 4 Q 4.3227 8.5258 117.1123 55.4100 29.1106 175.2705 5 N 4.6925 7.9545 118.1905 52.1058 38.6675 173.2597 6 C 5.2427 8.4172 123.0076 54.7879 41.9482 174.7824 7 K 3.9878 8.3397 124.5867 59.1556 32.9390 176.9600 8 E 4.7263 7.7244 117.2412 53.8211 33.4877 172.4726 9 P 4.3550 0.0000 0.0000 64.4336 31.5831 177.0702 10 G 3.9254 9.2961 110.9308 45.5443 0.0000 173.0996 11 N 4.8820 8.4005 118.4343 51.7544 39.2686 173.1375 12 C 5.3045 8.4803 117.4588 54.8941 41.4755 174.3047 13 W 4.3894 7.6659 127.7369 57.4707 31.0835 175.3028 14 E 3.8529 5.9000 122.3502 53.7890 33.0201 174.7271 15 N 3.8592 7.2503 119.2918 52.1102 38.4485 175.2314 16 K 4.1582 8.0599 119.5866 55.1152 33.0476 174.7737 17 P 4.3576 0.0000 0.0000 64.8506 31.4217 177.0632 18 G 3.9050 9.2395 111.8256 45.1732 0.0000 172.4360 19 Y 4.7457 7.6777 116.8995 55.1581 40.2131 173.9637 20 P 4.6141 0.0000 0.0000 62.7171 32.2369 176.6177 21 E 4.3876 8.8009 119.5421 58.5034 29.8488 177.5876 22 K 4.6927 7.8682 117.1017 54.5255 35.5504 176.1090 23 I 4.1169 8.3511 115.5807 61.6020 38.5329 175.5460 24 A 4.2544 7.8219 125.2604 53.6777 18.3694 177.7159 25 G 3.9065 9.6670 112.8912 45.2538 0.0000 173.3388 26 S 4.6018 7.7942 115.3493 56.3048 64.9377 174.7986 27 K 4.0844 8.1781 117.9085 58.5204 32.3771 176.9515 28 Y 4.7689 7.4419 116.6817 57.6930 38.1928 175.0240 29 D 4.4871 7.8039 121.2327 53.7495 41.3246 174.7925 30 P 4.2176 0.0000 0.0000 63.7446 32.0012 176.2067 31 K 3.7791 8.4434 118.3337 57.4368 30.0340 175.1571 32 H 4.2790 7.7973 113.9167 55.9137 29.8684 175.9248 33 D 4.6058 8.5925 122.6859 52.9405 41.8269 175.2249 34 P 4.2673 0.0000 0.0000 65.9028 31.0793 178.7341 35 V 3.6087 8.2073 116.6693 65.9986 31.8660 177.6942 36 E 4.1279 8.1451 117.9332 59.2976 29.2093 179.0098 37 L 4.0171 7.8122 118.2084 57.6184 41.9993 178.4981 38 N 4.6432 7.9039 114.4040 53.6507 38.7281 177.1320 39 K 3.9141 7.8527 121.2563 59.6745 32.1451 178.9650 40 Q 3.9896 8.0066 117.5880 58.9253 28.7144 178.3020 41 E 3.9094 8.1254 119.7400 59.4600 29.6019 178.5394 42 E 3.9837 8.2103 118.5795 59.3946 29.4518 179.4004 43 S 4.1022 8.1250 113.2469 61.4370 62.4150 176.2878 44 I 3.7500 7.9914 122.6819 64.1072 36.7699 178.6316 45 K 3.9329 8.0808 119.1672 59.4954 31.9442 179.2598 46 A 3.9938 7.7485 121.0439 55.2382 18.2704 179.3777 47 M 3.9448 8.1950 116.7156 59.0039 32.3728 178.2113 48 D 4.3770 8.4781 119.1677 57.1948 40.8991 178.6888 49 A 3.9692 8.0110 121.3211 55.2581 18.4403 179.9129 50 R 3.8031 7.9130 116.5614 59.4303 30.0591 179.1025 51 N 4.3012 8.2471 116.0413 56.2229 38.5203 177.1733 52 A 3.9668 8.1084 122.2102 55.1906 18.4213 179.6454 53 K 3.8431 7.8568 117.6011 59.5376 32.2616 179.3641 54 R 3.5928 7.6064 117.9495 59.0541 29.8836 179.1173 55 I 3.7208 7.9222 119.3905 64.2747 36.9406 178.1191 56 A 3.9429 7.7576 120.1139 55.2813 18.5345 178.6277 57 N 4.2713 8.0195 115.0423 56.9127 38.9492 176.7414 58 A 4.2258 7.6510 123.0803 54.5986 18.3485 179.4920 59 K 4.1184 8.1957 116.6103 58.1136 32.9523 176.7156 60 S 4.7895 7.3552 113.0750 57.0635 63.0991 173.5877 61 S 4.3928 8.2485 114.5271 58.4154 66.5187 177.0972 62 G 4.0329 8.4477 106.5576 46.2694 0.0000 173.0393 63 N 4.9726 7.9654 118.4735 51.4614 41.5512 172.5088 64 F 4.6088 8.8659 127.3649 56.6155 40.6411 174.8105 65 V 4.5172 7.4690 126.8591 61.0705 34.0984 174.7467 66 F 4.2761 9.2298 129.6548 61.5367 39.7917 176.5432 67 D 4.7844 8.0624 121.0035 53.4810 38.4089 174.8559 68 V 4.3411 6.8783 118.7268 59.5130 34.6147 176.5493 69 K 3.9028 8.4507 123.7737 57.1935 32.0472 174.0910 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 8.37 5.00 0.00 2.63 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 2 D 8.35 4.24 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 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 0.00 0.00 0.00 4 Q 8.53 4.32 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 5 N 7.95 4.69 0.00 2.74 2.95 0.00 0.00 7.03 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 8.42 5.24 0.00 3.01 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 3.99 0.00 1.88 1.97 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.45 7.81 8 E 7.72 4.73 0.00 2.03 1.84 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 2.32 2.36 0.00 9 P 0.00 4.35 0.00 2.05 2.02 0.00 3.73 0.00 0.00 3.67 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 9.30 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 11 N 8.40 4.88 0.00 2.71 2.81 0.00 0.00 6.98 7.16 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 12 C 8.48 5.30 0.00 3.08 3.12 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 13 W 7.67 4.39 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 14 E 5.90 3.85 0.00 1.48 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 2.11 2.16 0.00 15 N 7.25 3.86 0.00 2.92 2.76 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 8.06 4.16 0.00 1.59 1.76 0.00 1.36 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.31 7.81 17 P 0.00 4.36 0.00 2.11 2.06 0.00 3.74 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 2.07 2.13 0.00 18 G 9.24 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 0.00 0.00 0.00 19 Y 7.68 4.75 0.00 3.15 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 20 P 0.00 4.61 0.00 2.57 2.15 0.00 4.18 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 2.24 2.23 0.00 21 E 8.80 4.39 0.00 2.08 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 0.00 2.53 2.38 0.00 22 K 7.87 4.69 0.00 1.73 1.70 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.45 7.81 23 I 8.35 4.12 1.98 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 1.35 0.63 1.03 0.00 0.00 24 A 7.82 4.25 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 25 G 9.67 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 0.00 0.00 0.00 26 S 7.79 4.60 0.00 4.00 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 8.18 4.08 0.00 1.62 1.75 0.00 1.21 0.00 0.00 1.44 0.00 0.00 2.69 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.81 0.21 7.81 28 Y 7.44 4.77 0.00 3.09 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 29 D 7.80 4.49 0.00 2.90 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 4.22 0.00 1.66 2.06 0.00 3.95 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 31 K 8.44 3.78 0.00 1.83 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.63 7.81 32 H 7.80 4.28 0.00 3.15 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.59 4.61 0.00 2.72 2.57 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 0.00 0.00 0.00 0.00 34 P 0.00 4.27 0.00 2.19 2.11 0.00 3.66 0.00 0.00 3.94 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 8.21 3.61 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 0.83 0.00 0.00 0.96 0.00 0.00 36 E 8.15 4.13 0.00 2.16 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 2.40 2.35 0.00 37 L 7.81 4.02 0.00 1.76 1.71 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.90 4.64 0.00 2.72 2.83 0.00 0.00 6.96 7.01 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 39 K 7.85 3.91 0.00 1.83 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.63 7.81 40 Q 8.01 3.99 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 41 E 8.13 3.91 0.00 2.02 2.09 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 2.37 2.40 0.00 42 E 8.21 3.98 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 2.53 2.46 0.00 43 S 8.13 4.10 0.00 3.90 4.02 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 44 I 7.99 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 1.53 0.75 0.91 0.00 0.00 45 K 8.08 3.93 0.00 1.96 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 46 A 7.75 3.99 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.20 3.94 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 48 D 8.48 4.38 0.00 2.94 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 8.01 3.97 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 50 R 7.91 3.80 0.00 1.98 1.85 0.00 3.04 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 51 N 8.25 4.30 0.00 2.89 2.90 0.00 0.00 6.92 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 52 A 8.11 3.97 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 53 K 7.86 3.84 0.00 1.76 1.85 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.41 7.81 54 R 7.61 3.59 0.00 1.98 1.49 0.00 3.03 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.67 0.00 55 I 7.92 3.72 2.01 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 1.78 0.92 0.96 0.00 0.00 56 A 7.76 3.94 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.02 4.27 0.00 2.73 2.85 0.00 0.00 7.19 8.40 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 58 A 7.65 4.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.12 0.00 1.89 1.99 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.47 7.81 60 S 7.36 4.79 0.00 3.98 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 61 S 8.25 4.39 0.00 3.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 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 63 N 7.97 4.97 0.00 2.76 2.64 0.00 0.00 6.66 7.77 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 64 F 8.87 4.61 0.00 3.10 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 7.47 4.52 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 0.88 0.00 0.00 0.93 0.00 0.00 66 F 9.23 4.28 0.00 3.28 3.15 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 67 D 8.06 4.78 0.00 2.76 2.69 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 0.00 0.00 0.00 0.00 68 V 6.88 4.34 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 0.60 0.00 0.00 0.83 0.00 0.00 69 K 8.45 3.90 0.00 1.59 1.59 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 1.24 7.81