NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1397 8.3044 120.3500 58.0388 33.9415 176.2798 2 K 4.1668 7.7590 115.2554 56.8764 30.7550 174.2906 3 R 4.1645 7.8006 117.0782 60.0177 29.6340 177.8790 4 T 3.7466 7.4119 107.0553 62.3778 69.9059 172.1395 5 W 5.7360 7.8333 134.3657 58.1348 31.0968 176.3697 6 Q 2.5200 8.9092 117.6455 55.0824 25.3503 171.5982 7 P 3.5776 0.0000 0.0000 62.8547 32.1847 175.9061 8 N 4.3228 8.4936 114.2685 53.5172 39.5866 175.3652 9 R 3.9761 8.4135 124.9669 59.6162 32.0444 178.8560 10 R 4.1370 8.1207 109.5147 57.5208 30.0176 178.8943 11 K 4.1936 8.9962 130.0482 60.5016 32.4783 175.8612 12 R 3.8816 8.4183 118.9919 59.0354 29.7562 177.8633 13 A 4.0178 8.0331 120.7708 56.3287 18.5956 179.0946 14 K 3.4759 8.4751 112.7979 60.3483 32.1421 178.3817 15 T 4.1072 8.0931 114.0781 63.8539 68.9792 173.9358 16 H 4.8688 7.3745 118.6091 54.0666 30.4249 174.3151 17 G 3.8934 8.2938 108.9389 43.3770 0.0000 173.5728 18 F 3.9461 7.7832 119.4628 61.4297 38.8321 177.7666 19 R 3.8594 8.6089 115.2992 60.3790 29.5812 178.1580 20 A 3.7542 8.0485 118.8353 56.1736 18.8376 178.9007 21 R 3.9512 8.5260 114.3447 59.3487 30.3110 179.0737 22 M 3.9900 8.3885 117.8036 58.8873 32.1946 178.4498 23 R 3.9809 7.9972 116.8240 57.5174 30.5964 176.3831 24 T 4.4987 7.1865 114.3328 59.4042 68.9220 172.6204 25 P 4.3384 0.0000 0.0000 66.4478 31.0111 178.5903 26 G 3.7879 8.2711 105.7906 47.5179 0.0000 174.8317 27 G 4.1409 7.9982 108.7911 46.7426 0.0000 175.6709 28 R 3.9261 8.4053 120.1758 59.4016 30.3007 178.2610 29 K 3.6898 8.4818 116.7074 59.9007 31.8588 178.7424 30 V 3.5255 8.5640 118.7285 67.3261 31.7120 177.6100 31 L 3.9609 8.4803 117.9714 56.8082 41.1485 179.2773 32 K 3.9138 8.4215 118.6533 60.8877 32.5816 178.2306 33 R 3.7059 8.3506 116.7035 61.0296 29.7532 178.2342 34 R 3.8597 9.5537 115.5491 59.6131 30.2917 180.7361 35 R 3.3781 7.8141 115.4824 57.4129 30.7475 177.7533 36 Q 4.3019 8.5271 121.4813 57.5351 29.6571 177.7769 37 K 4.1471 8.3113 119.6333 58.8084 32.1594 178.0259 38 G 4.2373 8.4215 103.9057 44.8625 0.0000 173.2274 39 R 4.2352 7.6212 119.9442 54.2287 29.4045 179.7064 40 W 3.7206 8.9443 130.0307 58.0450 28.0965 175.6651 41 R 4.5326 8.9305 124.1323 57.2207 32.4719 177.1920 42 L 4.3756 8.0016 120.1035 53.5772 44.1292 176.0722 43 T 3.4487 8.6223 122.4644 65.8709 68.2686 174.8117 44 P 3.9530 0.0000 0.0000 64.7099 31.2399 177.5846 45 A 4.4123 8.4817 122.2595 54.1407 20.0435 178.9440 46 V 3.5454 8.1367 115.2407 66.2440 31.9669 176.3634 47 R 3.7715 7.4625 117.5130 55.5489 31.5090 173.6937 48 K 4.6991 8.1254 132.9810 54.9485 30.7890 176.5823 49 R 4.2714 8.9417 116.1373 56.3250 29.4625 175.3913 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 M 8.30 4.14 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 2 K 7.76 4.17 0.00 1.92 2.16 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.54 7.81 3 R 7.80 4.16 0.00 1.90 1.98 0.00 3.40 0.00 0.00 3.48 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 4 T 7.41 3.75 4.30 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 1.24 0.00 0.00 5 W 7.83 5.74 0.00 3.28 2.39 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 6 Q 8.91 2.52 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 7 P 0.00 3.58 0.00 2.03 1.85 0.00 3.04 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 8 N 8.49 4.32 0.00 2.64 2.65 0.00 0.00 6.89 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 9 R 8.41 3.98 0.00 1.90 1.99 0.00 3.20 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 10 R 8.12 4.14 0.00 2.00 1.08 0.00 3.15 0.00 0.00 3.26 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 11 K 9.00 4.19 0.00 1.79 2.14 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.62 7.81 12 R 8.42 3.88 0.00 2.06 2.03 0.00 3.41 0.00 0.00 3.62 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 13 A 8.03 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 3.48 0.00 1.81 1.79 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.70 7.81 15 T 8.09 4.11 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 1.22 0.00 0.00 16 H 7.37 4.87 0.00 3.12 3.15 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.29 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 18 F 7.78 3.95 0.00 3.23 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 19 R 8.61 3.86 0.00 1.96 1.99 0.00 3.34 0.00 0.00 3.41 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 20 A 8.05 3.75 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 21 R 8.53 3.95 0.00 1.84 2.00 0.00 3.03 0.00 0.00 2.96 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 22 M 8.39 3.99 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 23 R 8.00 3.98 0.00 1.82 2.02 0.00 3.21 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 24 T 7.19 4.50 4.24 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 1.35 0.00 0.00 25 P 0.00 4.34 0.00 2.30 2.31 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 26 G 8.27 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.00 4.14 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 0.00 0.00 0.00 28 R 8.41 3.93 0.00 2.08 2.04 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 29 K 8.48 3.69 0.00 2.00 1.77 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.53 7.81 30 V 8.56 3.53 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 1.09 0.00 0.00 0.95 0.00 0.00 31 L 8.48 3.96 0.00 1.95 1.60 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.42 3.91 0.00 1.92 1.92 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.69 7.81 33 R 8.35 3.71 0.00 1.87 2.04 0.00 3.11 0.00 0.00 3.16 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 34 R 9.55 3.86 0.00 2.20 1.84 0.00 3.18 0.00 0.00 3.09 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 35 R 7.81 3.38 0.00 2.11 1.88 0.00 3.16 0.00 0.00 3.29 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 36 Q 8.53 4.30 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 37 K 8.31 4.15 0.00 1.97 1.90 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.45 7.81 38 G 8.42 4.24 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 0.00 39 R 7.62 4.24 0.00 1.90 1.27 0.00 3.06 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 40 W 8.94 3.72 0.00 3.45 2.73 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 41 R 8.93 4.53 0.00 1.99 1.71 0.00 3.12 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 42 L 8.00 4.38 0.00 1.74 1.50 1.19 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.62 3.45 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 1.14 0.00 0.00 44 P 0.00 3.95 0.00 1.45 1.99 0.00 3.40 0.00 0.00 3.58 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 45 A 8.48 4.41 1.60 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 0.00 0.00 46 V 8.14 3.55 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 0.76 0.00 0.00 0.90 0.00 0.00 47 R 7.46 3.77 0.00 1.84 1.96 0.00 3.35 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 48 K 8.13 4.70 0.00 1.77 0.89 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.54 7.81 49 R 8.94 4.27 0.00 2.05 2.06 0.00 3.47 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00