NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3546 8.3049 120.3446 55.6388 32.6047 175.4306 2 K 4.0614 8.0685 129.3376 54.2438 31.2442 177.0956 3 A 4.4101 8.1357 124.9134 50.3776 18.8371 176.2057 4 L 4.8544 7.4610 119.6732 51.6706 45.9390 177.6172 5 T 4.1068 8.1727 111.3303 61.3843 70.8198 175.4930 6 A 3.9684 8.6713 124.9172 55.6531 18.4138 180.2835 7 R 3.7653 7.8948 116.3413 59.6212 30.2163 178.3729 8 Q 4.0780 8.1292 117.3994 59.2352 28.7591 178.6723 9 Q 4.0245 8.4432 120.6517 59.3726 29.0327 178.2903 10 E 4.0342 8.2814 119.5951 59.3219 29.1638 179.4346 11 V 3.6472 7.8449 118.0882 65.9248 31.7145 177.6230 12 F 4.0867 8.5811 120.6083 61.6759 39.1853 176.8268 13 D 4.4278 8.4226 118.2401 57.4319 40.5998 178.7621 14 L 4.1714 8.2054 119.4268 57.6487 40.9789 179.6544 15 I 3.6054 7.3787 119.5800 64.4607 37.0041 178.6213 16 R 3.8528 7.2797 117.2794 59.3654 29.8191 178.9435 17 D 4.3076 8.4726 119.1000 57.6681 40.7602 178.3897 18 H 4.0559 8.2751 118.7767 59.0033 29.5747 177.3476 19 I 3.6680 7.2005 120.0934 64.6209 37.0980 178.0862 20 S 4.2491 8.0675 112.5111 60.8906 62.3631 175.1629 21 Q 4.4308 8.0669 117.9392 56.3451 28.8248 175.6527 22 T 4.6805 7.7021 115.2692 65.9260 75.1964 173.5372 23 G 3.5120 7.2685 113.9788 45.0929 0.0000 173.4325 24 M 4.6214 7.5256 117.5605 52.4382 33.3146 173.8812 25 P 4.4684 0.0000 0.0000 61.7087 32.5449 174.1743 26 P 4.4974 0.0000 0.0000 62.2604 32.5195 176.7332 27 T 4.1637 8.5710 111.4924 61.4266 70.9220 175.9326 28 R 3.8080 8.5143 120.4217 59.4864 30.0885 179.1815 29 A 4.0536 7.9424 120.0752 55.0974 18.1508 179.4106 30 E 3.9780 8.0338 117.3641 59.4450 29.3176 179.3403 31 I 3.8309 8.0137 119.8708 64.6252 37.0982 178.2100 32 A 4.3360 8.1292 121.2977 55.4092 17.9158 179.7798 33 Q 3.9685 7.8406 115.3556 58.9688 28.8664 178.6635 34 R 4.0559 7.4566 117.1833 59.5320 30.4411 177.8222 35 L 3.9144 7.5981 116.8816 55.7532 42.4400 176.6691 36 G 3.5114 7.7275 105.5949 45.6219 0.0000 173.5653 37 F 4.7217 7.6642 117.2996 55.6619 40.7634 177.9910 38 R 4.2785 8.7737 122.5070 59.2931 29.6181 176.6185 39 S 4.6852 7.7919 110.5799 55.3669 67.3874 173.1570 40 P 4.2051 0.0000 0.0000 66.0480 30.6400 178.3996 41 N 4.4597 8.5002 115.6327 55.3452 37.2964 176.6269 42 A 4.1128 8.0135 122.2102 54.7353 18.7441 179.3768 43 A 2.7218 7.4985 119.0191 54.7316 18.4499 179.3939 44 E 3.9374 8.1732 116.1800 59.5870 29.5638 179.2560 45 E 3.9928 7.6317 118.5255 59.6436 29.4412 179.1395 46 H 4.2087 7.9166 115.6159 58.4997 28.7459 177.1286 47 L 3.9593 7.4744 121.2036 58.3090 41.7987 179.3718 48 K 3.9777 8.3361 118.5015 59.9099 32.5520 178.9263 49 A 3.9660 7.9540 121.6583 54.7734 18.3159 179.4484 50 L 3.9449 8.2744 117.5434 58.0169 41.8441 179.6786 51 A 4.2165 7.7327 121.9483 54.6533 18.1096 179.5541 52 R 3.8380 7.9812 116.3175 59.5305 30.2192 178.4403 53 K 4.0928 7.9410 118.2948 57.8183 32.0907 177.5685 54 G 3.9742 7.8662 106.2428 45.4442 0.0000 174.1974 55 V 4.3797 7.8771 114.3009 61.6202 33.3614 175.9696 56 I 5.0981 7.6650 113.0053 59.0171 41.5215 173.8771 57 E 4.6346 9.3940 126.2437 54.7875 31.3287 174.4041 58 I 4.8582 8.2352 128.6226 59.7339 38.6124 176.2525 59 V 3.6936 8.4508 127.8743 61.8900 32.0705 177.3459 60 S 4.4075 8.9538 121.5512 56.5640 60.7669 174.6411 61 G 4.5402 7.2828 119.2708 46.1885 0.0000 169.6441 62 A 4.2319 7.2930 124.4180 50.3297 19.3962 177.4295 63 S 4.1676 8.8332 118.6125 61.0150 62.6509 174.6681 64 R 4.3834 7.6342 119.9342 54.3528 28.6343 175.2244 65 G 4.2153 7.5974 107.1542 45.0092 0.0000 167.0976 66 I 4.9588 7.8965 123.7918 59.6467 40.5936 174.3377 67 R 4.5235 8.7430 129.1321 54.5975 31.5945 175.2407 68 L 4.6077 8.4407 127.4493 56.0697 40.8235 176.6494 69 L 4.2819 8.8934 124.6236 57.3938 42.1294 177.7108 70 Q 4.1286 8.1187 117.7167 56.6787 29.4491 173.1025 71 E 4.1186 8.9975 125.6023 56.0700 29.3998 173.8655 72 E 4.2307 7.6812 123.2892 56.4210 29.9503 175.0498 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 4.35 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 2 K 8.07 4.06 0.00 1.76 1.61 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.32 7.81 3 A 8.14 4.41 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 4 L 7.46 4.85 0.00 1.52 1.49 0.55 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.17 4.11 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 1.25 0.00 0.00 6 A 8.67 3.97 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 7 R 7.89 3.77 0.00 1.89 1.85 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 8 Q 8.13 4.08 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 9 Q 8.44 4.02 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.11 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 10 E 8.28 4.03 0.00 2.11 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 2.35 2.51 0.00 11 V 7.84 3.65 2.30 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 1.13 0.00 0.00 1.16 0.00 0.00 12 F 8.58 4.09 0.00 3.25 3.26 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 0.00 13 D 8.42 4.43 0.00 2.93 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 14 L 8.21 4.17 0.00 1.89 1.76 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.38 3.61 1.69 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 1.71 1.26 0.81 0.00 0.00 16 R 7.28 3.85 0.00 1.94 1.90 0.00 2.94 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.34 0.00 17 D 8.47 4.31 0.00 2.72 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 18 H 8.28 4.06 0.00 3.43 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.20 3.67 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.88 0.89 0.00 0.00 20 S 8.07 4.25 0.00 3.89 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 21 Q 8.07 4.43 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.46 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 22 T 7.70 4.68 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 1.23 0.00 0.00 23 G 7.27 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.53 4.62 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 25 P 0.00 4.47 0.00 2.16 2.05 0.00 3.73 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 2.03 1.92 0.00 26 P 0.00 4.50 0.00 2.17 2.01 0.00 3.72 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 1.95 2.10 0.00 27 T 8.57 4.16 4.22 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 1.22 0.00 0.00 28 R 8.51 3.81 0.00 1.87 1.96 0.00 3.13 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 29 A 7.94 4.05 1.32 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 0.00 0.00 30 E 8.03 3.98 0.00 2.11 2.04 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 2.36 2.35 0.00 31 I 8.01 3.83 1.95 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 1.63 0.95 0.94 0.00 0.00 32 A 8.13 4.34 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.84 3.97 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 34 R 7.46 4.06 0.00 1.89 1.99 0.00 3.43 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 35 L 7.60 3.91 0.00 1.92 1.41 1.10 0.92 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 36 G 7.73 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.66 4.72 0.00 3.08 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 38 R 8.77 4.28 0.00 1.93 2.13 0.00 3.15 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 39 S 7.79 4.69 0.00 3.94 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 40 P 0.00 4.21 0.00 2.13 2.10 0.00 3.62 0.00 0.00 3.83 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 41 N 8.50 4.46 0.00 2.85 2.96 0.00 0.00 6.39 7.28 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 42 A 8.01 4.11 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.50 2.72 0.95 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 0.00 0.00 44 E 8.17 3.94 0.00 2.15 2.15 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 2.39 2.30 0.00 45 E 7.63 3.99 0.00 2.14 1.94 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 2.46 2.46 0.00 46 H 7.92 4.21 0.00 3.19 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.47 3.96 0.00 1.70 1.83 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.34 3.98 0.00 2.00 2.03 0.00 1.34 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.68 1.43 7.81 49 A 7.95 3.97 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 50 L 8.27 3.94 0.00 1.94 1.84 1.14 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.73 4.22 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 52 R 7.98 3.84 0.00 1.91 2.12 0.00 3.27 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 1.64 1.64 0.00 53 K 7.94 4.09 0.00 1.84 2.06 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.46 7.81 54 G 7.87 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 55 V 7.88 4.38 2.04 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 0.66 0.00 0.00 0.94 0.00 0.00 56 I 7.66 5.10 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.00 1.09 0.00 0.00 57 E 9.39 4.63 0.00 2.02 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 2.21 2.26 0.00 58 I 8.24 4.86 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.58 0.90 0.00 0.00 59 V 8.45 3.69 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 0.82 0.00 0.00 0.93 0.00 0.00 60 S 8.95 4.41 0.00 3.88 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 61 G 7.28 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.29 4.23 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 63 S 8.83 4.17 0.00 3.83 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 64 R 7.63 4.38 0.00 1.81 1.91 0.00 3.26 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 65 G 7.60 4.22 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 0.00 0.00 0.00 66 I 7.90 4.96 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 0.69 0.90 0.00 0.00 67 R 8.74 4.52 0.00 1.89 1.89 0.00 3.14 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 68 L 8.44 4.61 0.00 1.68 1.53 0.77 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.89 4.28 0.00 1.62 1.79 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.12 4.13 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 5.90 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 71 E 9.00 4.12 0.00 2.43 2.26 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 2.28 2.41 0.00 72 E 7.68 4.23 0.00 1.91 1.71 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 2.18 2.30 0.00