NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3561 8.3044 120.3246 54.7901 33.5718 175.2275 2 D 4.1903 8.5527 123.1316 53.1791 42.0892 173.8534 3 P 4.2231 0.0000 0.0000 66.2906 31.8855 177.9305 4 N 4.8379 8.0399 115.3608 55.7081 38.4908 177.6120 5 T 3.8849 7.9272 117.2482 66.5386 68.4539 176.8342 6 V 3.6750 7.8122 120.3282 66.0233 31.7420 178.2092 7 S 4.4300 8.2061 115.5299 61.1422 62.6812 176.6114 8 S 4.1638 8.3507 118.8845 61.1449 62.4863 176.3533 9 F 4.2605 8.3404 123.3128 61.4626 38.8379 177.1109 10 Q 3.9293 8.4103 117.7348 58.9709 28.4848 179.0592 11 V 3.7040 8.0856 119.3877 66.2662 31.5592 177.6530 12 D 4.4098 8.3715 118.8234 57.5896 40.6460 178.7312 13 C 3.9980 8.1063 117.3467 62.7071 28.0888 175.8777 14 F 4.3318 8.2416 122.1127 61.5341 38.9698 177.2101 15 L 3.7209 8.4093 118.9097 57.1654 41.3143 179.2808 16 W 3.8900 8.4090 128.6806 60.6469 30.6781 177.3614 17 H 4.1183 8.5138 118.1718 59.2972 29.2534 177.2831 18 V 3.3173 7.5261 119.8789 66.0842 31.2459 178.2521 19 R 3.9988 7.8275 117.8028 59.0058 29.6939 178.9678 20 K 3.4646 7.7287 119.8705 59.3586 32.1857 179.1574 21 R 3.7858 7.7451 118.3716 58.9481 29.8000 179.0717 22 V 3.4616 7.8380 117.9348 65.9655 31.5136 177.8875 23 A 3.9802 8.2145 120.5652 55.4399 18.0132 179.3771 24 D 4.3694 8.1323 116.4297 57.2277 40.8848 178.0785 25 Q 4.2466 7.6367 115.6153 54.9855 29.0788 175.4194 26 E 3.7424 7.9404 118.3438 57.9211 27.2554 175.0388 27 L 4.4324 7.5804 116.9688 54.3781 43.2326 177.4634 28 G 3.4965 7.6115 108.4970 44.4966 0.0000 174.1310 29 D 4.6685 8.2330 123.4705 51.9865 42.1534 177.4490 30 A 4.0204 8.4077 120.6718 55.0504 18.3313 177.9590 31 P 4.1986 0.0000 0.0000 65.6004 31.3966 178.5609 32 F 4.0693 8.5966 119.5638 61.3531 39.3090 177.2597 33 L 4.0552 8.2705 118.6213 57.7525 41.3941 179.1054 34 D 4.3891 8.4182 119.2075 57.6181 40.6967 179.1995 35 R 3.9409 8.0950 118.4695 58.8374 30.0228 178.7233 36 L 3.8619 7.7849 120.3054 58.1543 41.9531 179.1020 37 R 4.0016 8.0497 118.5328 59.4832 30.0881 178.4413 38 R 3.9070 8.0591 118.5030 59.6856 30.0661 178.2777 39 D 4.4417 8.5855 118.9119 56.9317 40.7906 178.4653 40 Q 3.1962 8.3380 120.3883 58.9672 29.0392 178.5518 41 K 3.8940 7.7646 119.0718 59.4458 31.9866 179.2749 42 S 4.0491 8.0798 113.2508 61.4925 62.3924 176.2565 43 L 4.1055 8.2039 122.0664 57.7925 41.2699 179.6966 44 R 4.0276 8.1179 118.2682 59.0947 29.9149 179.3741 45 G 3.5478 8.0556 105.4364 47.9029 0.0000 175.9752 46 R 3.9321 8.3252 121.4621 58.7157 30.0968 179.4165 47 G 3.3155 8.6475 105.7559 47.8125 0.0000 175.8931 48 S 4.1002 8.1045 117.8007 61.6419 62.6341 176.9186 49 T 3.8042 7.7739 117.2841 66.4102 68.2682 176.0295 50 L 4.2052 7.6230 118.8634 54.3627 41.9469 177.2512 51 G 3.7969 7.4574 106.7310 46.5467 0.0000 173.3693 52 L 4.7312 7.6409 118.0791 52.5191 44.6111 175.9041 53 D 4.9680 8.2669 118.6463 52.5981 43.5063 176.9366 54 I 3.6581 8.4236 127.6640 64.5986 37.1529 178.3199 55 E 3.9904 8.8201 119.9586 59.6143 29.0544 179.5722 56 T 3.9980 8.0665 109.1829 64.7797 68.9365 176.3766 57 A 4.0183 8.3408 123.8375 54.9952 18.3248 179.5819 58 T 3.8814 8.1582 114.6323 67.0850 68.6522 176.8925 59 R 3.8727 7.6897 118.1403 59.1222 30.0394 179.0522 60 A 4.0476 7.8324 120.5727 55.0837 18.3169 179.9151 61 G 3.5507 8.3309 104.5660 47.6049 0.0000 175.7834 62 K 2.4800 7.6399 121.7946 58.7296 32.1390 178.6110 63 Q 3.8194 7.6428 119.4640 59.1634 28.9663 178.3116 64 I 3.6443 7.6901 120.7145 64.4585 37.1873 178.6302 65 V 3.6201 7.8480 119.2039 66.0530 31.1340 177.8227 66 E 3.9507 8.1180 117.6894 59.3506 29.0284 179.0527 67 R 4.0170 8.0531 118.7058 59.5353 29.9546 178.6913 68 I 3.7888 7.6219 118.4913 64.0080 37.2096 177.6283 69 L 4.3509 7.8392 117.0897 55.2154 41.8922 177.3129 70 K 4.2554 7.5491 123.9919 56.6961 32.3059 175.9153 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 4.36 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 2 D 8.55 4.19 0.00 2.86 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 3 P 0.00 4.22 0.00 2.20 2.12 0.00 3.65 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 2.21 0.00 4 N 8.04 4.84 0.00 2.82 2.88 0.00 0.00 7.63 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.93 3.88 4.40 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 1.19 0.00 0.00 6 V 7.81 3.67 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 1.20 0.00 0.00 1.00 0.00 0.00 7 S 8.21 4.43 0.00 4.11 4.13 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 8 S 8.35 4.16 0.00 4.01 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 9 F 8.34 4.26 0.00 3.17 3.27 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 10 Q 8.41 3.93 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 11 V 8.09 3.70 2.13 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 1.19 0.00 0.00 1.03 0.00 0.00 12 D 8.37 4.41 0.00 2.91 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 13 C 8.11 4.00 0.00 2.86 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.24 4.33 0.00 3.24 3.24 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 15 L 8.41 3.72 0.00 1.72 1.66 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.41 3.89 0.00 3.46 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 17 H 8.51 4.12 0.00 3.48 3.50 0.00 5.84 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 18 V 7.53 3.32 1.91 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 0.83 0.00 0.00 0.22 0.00 0.00 19 R 7.83 4.00 0.00 1.55 1.52 0.00 3.05 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 20 K 7.73 3.46 0.00 0.79 1.45 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.24 1.17 7.81 21 R 7.75 3.79 0.00 1.86 1.86 0.00 3.29 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 22 V 7.84 3.46 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 0.62 0.00 0.00 0.92 0.00 0.00 23 A 8.21 3.98 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 24 D 8.13 4.37 0.00 2.75 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 25 Q 7.64 4.25 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 26 E 7.94 3.74 0.00 2.09 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 2.21 2.38 0.00 27 L 7.58 4.43 0.00 1.46 1.48 0.82 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.61 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 29 D 8.23 4.67 0.00 2.96 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 30 A 8.41 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.20 0.00 2.22 2.14 0.00 3.82 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 2.14 2.17 0.00 32 F 8.60 4.07 0.00 3.19 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 33 L 8.27 4.06 0.00 1.95 1.74 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.42 4.39 0.00 2.88 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 35 R 8.10 3.94 0.00 1.79 1.86 0.00 3.08 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 36 L 7.78 3.86 0.00 1.55 1.76 -0.17 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.05 4.00 0.00 1.99 2.10 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 38 R 8.06 3.91 0.00 1.95 2.05 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 39 D 8.59 4.44 0.00 3.04 2.86 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 40 Q 8.34 3.20 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.17 1.83 0.00 41 K 7.76 3.89 0.00 2.00 1.83 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.59 7.81 42 S 8.08 4.05 0.00 3.90 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 43 L 8.20 4.11 0.00 1.58 1.59 0.66 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.12 4.03 0.00 1.95 1.93 0.00 3.05 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 45 G 8.06 3.55 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 0.00 0.00 0.00 46 R 8.33 3.93 0.00 2.13 1.91 0.00 3.20 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 47 G 8.65 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 0.00 0.00 0.00 48 S 8.10 4.10 0.00 4.02 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.77 3.80 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 1.14 0.00 0.00 50 L 7.62 4.21 0.00 1.22 1.47 0.35 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.46 3.80 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 0.00 0.00 0.00 52 L 7.64 4.73 0.00 1.51 1.72 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.27 4.97 0.00 2.71 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 54 I 8.42 3.66 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.63 0.76 0.00 0.00 55 E 8.82 3.99 0.00 2.08 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 2.34 2.48 0.00 56 T 8.07 4.00 4.27 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 1.23 0.00 0.00 57 A 8.34 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 3.88 4.48 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 0.00 0.00 0.00 1.33 0.00 0.00 59 R 7.69 3.87 0.00 2.08 1.95 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 60 A 7.83 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 3.55 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 0.00 0.00 0.00 62 K 7.64 2.48 0.00 1.20 1.67 0.00 1.69 0.00 0.00 1.49 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.16 0.94 7.81 63 Q 7.64 3.82 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 64 I 7.69 3.64 1.97 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 1.39 0.75 0.91 0.00 0.00 65 V 7.85 3.62 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 1.19 0.00 0.00 1.14 0.00 0.00 66 E 8.12 3.95 0.00 2.02 1.96 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 2.31 2.38 0.00 67 R 8.05 4.02 0.00 1.92 2.10 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 68 I 7.62 3.79 2.04 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 1.54 0.53 0.93 0.00 0.00 69 L 7.84 4.35 0.00 1.64 1.73 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.55 4.26 0.00 1.94 1.69 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81