NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3168 8.3293 119.6864 54.7605 30.6097 173.7905 2 P 3.7473 0.0000 0.0000 63.4476 32.0927 172.2237 3 V 3.2378 7.5999 119.7819 64.5720 29.5879 175.1639 4 G 4.0925 7.5069 109.8755 43.6436 0.0000 170.3289 5 I 4.4264 8.2082 118.9926 58.9073 40.8788 173.6109 6 N 4.4255 8.8964 117.5813 53.1406 38.5090 173.4225 7 T 4.1071 7.5254 112.1142 61.3338 66.5776 176.2826 8 S 2.7900 6.8517 116.1873 59.0473 60.3453 168.5546 9 T 4.6725 8.2467 116.4064 62.6372 69.0098 174.2771 10 T 4.7448 7.7778 110.7553 60.7635 71.9382 176.9068 11 C 3.8843 7.4751 119.9470 59.2100 39.5615 175.0007 12 C 4.5634 8.7232 116.6465 59.5292 45.4784 174.9919 13 Y 4.1452 7.1021 115.1824 58.9355 35.5446 172.7197 14 R 4.7846 8.1750 120.1389 55.1589 35.0887 174.3436 15 F 4.3767 9.8302 115.5480 58.7879 35.1243 177.6868 16 I 2.6451 5.7946 119.7662 61.6920 37.4172 173.9895 17 N 5.0871 7.9209 120.6818 52.6417 36.9253 176.7053 18 K 4.3225 8.7806 110.8976 54.7210 32.4926 175.3611 19 K 4.1909 6.0382 121.9918 61.2838 32.5858 178.0981 20 I 3.3593 5.8815 122.5459 63.0115 38.7183 173.6234 21 P 5.3233 0.0000 0.0000 61.4603 33.1975 173.4707 22 K 4.4256 8.1943 115.8755 58.4323 33.7730 181.4611 23 Q 2.5387 6.6847 110.7299 54.9437 30.5559 175.9617 24 R 4.6509 8.0026 119.0680 54.8134 33.9773 173.9672 25 L 4.8702 8.2395 124.5456 54.0833 45.3171 174.1029 26 E 4.6031 8.8909 116.5040 57.6451 30.2401 176.7475 27 S 5.0348 7.7161 113.5145 57.6247 67.7875 172.3994 28 Y 5.3619 8.6994 120.0391 55.2460 40.7661 174.6079 29 R 4.5062 9.4069 119.4134 54.4149 32.5236 175.0179 30 R 4.6366 8.2950 120.6279 55.1871 32.8215 177.8694 31 T 3.4969 8.3114 108.3434 63.9588 67.3580 174.3579 32 T 4.2669 7.7850 129.6323 64.0187 66.4801 172.9968 33 S 4.5178 6.9681 114.4512 55.4434 66.7226 175.9315 34 S 4.4148 8.2339 120.8568 57.5635 63.2378 169.9944 35 H 4.7118 8.2380 116.3018 56.9968 31.6981 172.1891 36 C 4.9005 7.3231 112.0397 52.7622 45.4234 173.5171 37 P 3.7182 0.0000 0.0000 65.9185 31.9295 179.7556 38 R 3.2600 7.2726 117.0873 58.1431 31.6397 175.4771 39 E 4.7126 7.8398 114.4960 54.6344 32.3556 174.9193 40 A 4.8131 8.5477 121.3342 50.9055 23.0036 174.5842 41 V 4.6164 8.4978 116.1783 61.7627 33.8397 176.0508 42 I 5.4636 8.9824 129.6567 59.2212 39.5750 174.7790 43 F 5.1667 9.0099 124.8091 55.5746 41.9091 174.1423 44 K 5.3641 9.4628 125.8120 54.3841 33.6558 174.7437 45 T 4.8047 8.5922 118.9923 60.2938 70.8097 176.9833 46 K 4.5071 7.8673 126.7229 58.5690 31.0831 176.9365 47 L 3.9998 9.0015 118.4742 58.1816 39.8861 173.9498 48 D 3.6817 7.8223 119.3640 53.4870 42.2880 172.6907 49 K 4.6781 7.4122 120.4300 54.3737 33.0439 173.6240 50 E 5.1098 8.6210 123.5219 54.6785 32.1755 174.1113 51 I 4.8495 8.8843 126.8942 59.4265 40.8957 174.5188 52 C 4.9416 8.4010 120.6847 55.5425 36.9908 172.9510 53 A 4.7316 8.7640 123.0243 50.2230 23.0399 176.6141 54 D 4.1098 8.2696 117.2967 53.1578 41.7939 173.1749 55 P 3.9037 0.0000 0.0000 66.1726 29.2670 173.1940 56 T 3.6446 7.5647 126.9549 63.9581 67.2531 173.6168 57 Q 4.3170 7.8238 126.5841 54.7241 27.5882 176.9286 58 K 4.5476 7.3633 121.9688 58.3518 34.1219 177.6278 59 W 4.4688 8.3480 118.8775 59.0467 27.6596 178.2428 60 V 3.3476 7.0182 118.8582 65.4615 30.8638 177.6262 61 Q 3.9419 7.8229 117.4160 59.4291 28.5276 179.2460 62 D 4.3353 8.6100 119.5275 57.5739 40.9784 178.1055 63 F 4.2139 8.8064 121.5174 62.0138 39.3088 176.9039 64 M 3.7420 8.6557 116.4053 58.5050 30.7250 178.2774 65 K 4.2136 8.0788 118.5806 58.0596 32.3995 177.1774 66 H 4.5970 8.1866 117.5337 57.6687 30.7792 175.5536 67 L 3.9933 8.6081 122.0600 57.2507 42.0659 180.0121 68 D 4.0654 8.4646 116.5265 55.4919 41.4041 177.7135 69 K 4.1503 7.3751 120.8188 57.8217 32.6790 176.3810 70 K 4.3436 9.4041 119.7678 54.1701 31.1793 174.5345 71 T 4.4972 7.3022 115.2106 61.1778 69.8150 172.0003 72 Q 4.7566 8.0075 123.4194 55.4541 30.6562 174.7806 73 T 4.5128 8.1794 115.5855 60.5676 70.2859 172.3421 74 P 4.0614 0.0000 0.0000 62.3206 32.5280 177.8849 75 K 4.7573 7.1893 118.4123 58.8022 33.9991 174.5871 76 L 4.3175 7.6320 121.9691 55.0542 42.2804 175.6143 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 Q 8.33 4.32 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 2 P 0.00 3.75 0.00 2.28 2.20 0.00 3.69 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 2.08 2.01 0.00 3 V 7.60 3.24 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 0.68 0.00 0.00 0.93 0.00 0.00 4 G 7.51 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.21 4.43 1.90 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 1.33 0.91 0.94 0.00 0.00 6 N 8.90 4.43 0.00 2.79 3.22 0.00 0.00 6.77 7.67 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 7 T 7.53 4.11 4.17 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 1.13 0.00 0.00 8 S 6.85 2.79 0.00 3.47 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 9 T 8.25 4.67 4.39 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 1.25 0.00 0.00 10 T 7.78 4.74 4.33 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 1.27 0.00 0.00 11 C 7.48 3.88 0.00 3.21 3.29 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 12 C 8.72 4.56 0.00 3.22 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 13 Y 7.10 4.15 0.00 3.03 3.04 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 0.00 0.00 0.00 14 R 8.17 4.78 0.00 2.12 1.85 0.00 3.23 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 15 F 9.83 4.38 0.00 3.17 3.69 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 16 I 5.79 2.65 1.70 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.64 0.88 0.00 0.00 17 N 7.92 5.09 0.00 2.79 1.98 0.00 0.00 6.48 7.38 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 18 K 8.78 4.32 0.00 1.56 1.59 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.34 7.81 19 K 6.04 4.19 0.00 1.22 0.74 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.00 0.97 7.81 20 I 5.88 3.36 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.49 0.92 0.00 0.00 21 P 0.00 5.32 0.00 2.42 2.06 0.00 3.70 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 22 K 8.19 4.43 0.00 2.02 1.96 0.00 1.54 0.00 0.00 1.15 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.62 1.37 7.81 23 Q 6.68 2.54 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 24 R 8.00 4.65 0.00 1.70 1.75 0.00 3.26 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 25 L 8.24 4.87 0.00 1.69 1.63 1.17 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.89 4.60 0.00 2.06 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 2.30 2.36 0.00 27 S 7.72 5.03 0.00 3.79 3.73 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 28 Y 8.70 5.36 0.00 2.90 2.91 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 29 R 9.41 4.51 0.00 1.75 1.96 0.00 2.74 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 30 R 8.29 4.64 0.00 1.64 1.85 0.00 3.22 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 31 T 8.31 3.50 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 32 T 7.78 4.27 4.46 0.00 0.00 0.00 0.00 0.00 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 33 S 6.97 4.52 0.00 3.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.23 4.41 0.00 4.20 4.19 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 0.00 0.00 0.00 35 H 8.24 4.71 0.00 3.03 3.33 0.00 5.88 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 7.32 4.90 0.00 3.02 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 37 P 0.00 3.72 0.00 2.26 2.30 0.00 3.65 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 2.06 2.00 0.00 38 R 7.27 3.26 0.00 1.85 2.38 0.00 3.30 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 39 E 7.84 4.71 0.00 1.99 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 2.27 2.47 0.00 40 A 8.55 4.81 1.26 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 0.00 0.00 41 V 8.50 4.62 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 0.56 0.00 0.00 0.96 0.00 0.00 42 I 8.98 5.46 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 1.10 0.00 0.00 43 F 9.01 5.17 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.46 5.36 0.00 2.09 2.08 0.00 1.56 0.00 0.00 1.84 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.52 7.81 45 T 8.59 4.80 4.25 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 1.23 0.00 0.00 46 K 7.87 4.51 0.00 1.95 2.28 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.38 1.44 7.81 47 L 9.00 4.00 0.00 1.66 2.10 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.82 3.68 0.00 2.74 3.03 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 49 K 7.41 4.68 0.00 1.87 1.92 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.33 1.22 7.81 50 E 8.62 5.11 0.00 2.06 1.78 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 0.00 2.31 2.43 0.00 51 I 8.88 4.85 1.85 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 1.24 0.78 0.49 0.00 0.00 52 C 8.40 4.94 0.00 2.98 3.08 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 0.00 0.00 0.00 0.00 53 A 8.76 4.73 0.13 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 0.00 0.00 54 D 8.27 4.11 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 3.90 0.00 2.20 2.10 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 56 T 7.56 3.64 4.23 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 0.00 0.00 0.00 1.23 0.00 0.00 57 Q 7.82 4.32 0.00 2.14 1.81 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 1.54 2.48 0.00 58 K 7.36 4.55 0.00 2.07 2.00 0.00 1.66 0.00 0.00 1.96 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.60 7.81 59 W 8.35 4.47 0.00 3.81 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.02 3.35 1.69 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 1.06 0.00 0.00 -1.18 0.00 0.00 61 Q 7.82 3.94 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 62 D 8.61 4.34 0.00 3.02 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 63 F 8.81 4.21 0.00 3.51 3.35 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 64 M 8.66 3.74 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 65 K 8.08 4.21 0.00 1.85 2.06 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.43 7.81 66 H 8.19 4.60 0.00 3.18 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.61 3.99 0.00 0.84 0.69 0.16 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.46 4.07 0.00 2.77 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 69 K 7.38 4.15 0.00 1.70 1.90 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.50 7.81 70 K 9.40 4.34 0.00 1.79 1.69 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.33 7.81 71 T 7.30 4.50 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 1.21 0.00 0.00 72 Q 8.01 4.76 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 73 T 8.18 4.51 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 74 P 0.00 4.06 0.00 2.07 2.03 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 75 K 7.19 4.76 0.00 1.75 1.92 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.41 7.81 76 L 7.63 4.32 0.00 1.59 1.46 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00