NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4981 8.1627 118.3251 55.2740 33.3054 173.0346 2 Q 4.8906 8.1969 118.0660 52.8568 32.5743 172.8586 3 I 4.3077 9.1863 119.0655 59.6476 42.1995 173.0192 4 F 5.2759 9.0293 121.2329 55.8163 42.5003 175.1023 5 V 4.7451 8.8622 120.0503 61.3355 34.8404 174.0838 6 K 4.8574 9.4616 131.3607 54.7526 33.3869 175.4019 7 T 4.2581 8.2889 123.2783 61.8022 68.1931 174.6131 8 L 3.9527 8.0067 128.4657 58.5263 42.0660 178.7915 9 T 3.8568 7.9449 106.9076 63.4763 68.3409 174.4610 10 G 4.0334 8.0673 109.4852 44.8417 0.0000 173.9683 11 K 4.0199 7.9443 121.7307 57.2668 33.4219 176.0976 12 T 5.2418 8.6101 122.2349 60.5898 69.8749 172.8883 13 I 4.4403 8.0610 119.2433 59.7839 40.3749 174.5790 14 T 5.0229 8.4625 117.7249 60.3956 70.0159 172.8036 15 L 4.8393 9.1170 127.9270 52.9906 45.2053 175.0230 16 E 4.9606 8.5744 121.2673 55.3632 31.0601 175.6704 17 V 4.6328 8.6457 116.7097 60.3092 36.7533 173.7342 18 E 4.7090 9.5503 120.0371 54.0329 32.6150 176.0575 19 P 4.3687 0.0000 0.0000 65.3615 31.5792 177.8229 20 S 4.6304 7.7721 111.8588 58.1086 63.5049 173.5572 21 D 4.5181 8.3327 122.3334 54.0303 41.1917 176.6922 22 T 4.5261 8.2427 113.9585 61.4802 70.9455 175.7255 23 I 3.6533 8.2202 122.8862 64.3501 37.0449 178.1108 24 E 3.8838 8.1515 120.3269 59.8026 29.2703 178.9249 25 N 4.3182 8.0368 116.0221 56.1624 38.5421 177.4303 26 V 3.5182 7.4560 119.7141 66.1092 31.6851 177.9143 27 K 4.5788 8.5062 119.3284 59.0876 32.0490 179.0798 28 A 4.0252 8.1400 120.7086 55.0196 18.1181 179.7724 29 K 4.0469 8.2079 116.1091 58.7951 32.3159 178.9771 30 I 4.0720 7.5214 120.3295 63.6995 37.4704 177.2094 31 Q 4.1012 8.0096 120.2524 59.1832 29.8853 176.7327 32 D 4.8353 7.9140 119.0807 51.9080 39.4166 174.6846 33 K 4.4731 7.1176 128.7772 57.0749 35.0443 174.6786 34 E 4.5767 8.2071 114.7710 54.9067 32.1653 175.7533 35 G 4.1167 8.8221 107.3654 46.3817 0.0000 173.6874 36 I 4.2467 7.0360 120.8937 58.3378 38.1022 174.3210 37 P 4.2097 0.0000 0.0000 62.5407 31.9325 175.1080 38 P 4.2163 0.0000 0.0000 65.9345 31.2902 178.0928 39 D 4.6976 8.1396 111.5886 54.5842 38.7541 176.3045 40 Q 4.6786 8.1698 118.6192 56.2067 32.0574 175.6675 41 Q 4.2594 8.3428 118.9502 55.7781 30.2672 175.5721 42 R 4.9883 9.2706 121.2176 54.4273 34.6919 174.2713 43 L 5.3420 8.4600 121.2659 53.0246 45.8845 175.3996 44 I 5.1413 8.4936 122.5000 59.4916 41.2472 174.4084 45 F 5.0479 9.2684 127.4715 56.4290 42.1527 174.7110 46 A 3.4965 9.3806 131.3119 53.2327 15.6500 177.4438 47 G 3.8793 7.9930 106.1237 45.8143 0.0000 173.1044 48 K 4.4559 7.9691 121.9645 54.6949 33.6655 174.6094 49 Q 4.8001 8.4720 126.7302 55.3249 29.9592 174.7681 50 L 4.3114 8.3729 126.0295 53.3790 44.1117 175.5616 51 E 4.6009 8.0073 119.5084 55.2378 31.2343 177.5137 52 D 4.3769 8.7985 124.8454 57.3360 41.4272 179.4736 53 G 3.6786 8.0371 106.8687 47.6843 0.0000 174.1327 54 R 4.5778 7.9903 118.6773 55.5120 32.0262 176.5134 55 T 4.8500 8.2523 110.9890 60.7420 71.0556 175.4085 56 L 4.0930 8.6547 122.8013 58.3757 42.0588 180.3513 57 S 4.1095 8.4529 113.2489 61.4137 63.2248 175.9083 58 D 4.2386 7.5635 119.1390 57.3448 40.5202 177.4554 59 Y 4.4666 7.6380 113.1811 56.9043 37.9976 174.9494 60 N 4.1984 8.6056 117.9977 54.5227 38.0086 174.1829 61 I 4.1104 7.5583 116.5698 60.3691 38.2665 175.6455 62 Q 4.6052 8.5880 122.4993 53.1781 32.8673 174.4351 63 K 3.9008 8.5272 117.2903 59.0927 32.5130 176.3701 64 E 3.5522 9.4421 123.0142 57.6037 27.0361 174.4032 65 S 4.9619 7.5964 113.6845 57.6345 65.6886 174.4082 66 T 5.0957 8.6635 119.5753 62.1825 69.8903 173.9343 67 L 4.9898 8.9292 126.8012 53.4602 44.8146 175.1431 68 H 5.3469 8.7671 119.1408 54.1912 31.2952 173.3762 69 L 5.0647 8.5645 124.6973 53.3342 44.1510 175.4275 70 V 4.6620 8.6400 125.2387 59.9238 34.6887 174.5049 71 L 5.0682 8.5386 122.5555 53.5452 43.5138 175.5777 72 R 4.6061 9.3902 123.8061 54.8034 31.8461 176.1270 73 L 4.4165 8.3642 125.8533 54.2076 44.6364 176.5380 74 R 4.7631 8.4024 125.6593 54.5853 30.8313 177.1708 75 G 4.2017 7.4260 102.8465 42.4656 0.0000 172.5061 76 G 3.5058 8.1837 112.0530 45.5218 0.0000 172.4920 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 8.16 4.50 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.71 0.00 2 Q 8.20 4.89 0.00 2.05 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 3 I 9.19 4.31 1.91 0.00 0.00 0.75 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 0.49 0.80 0.00 0.00 4 F 9.03 5.28 0.00 2.95 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 5 V 8.86 4.75 2.22 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 1.00 0.00 0.00 0.92 0.00 0.00 6 K 9.46 4.86 0.00 1.79 1.71 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.56 7.81 7 T 8.29 4.26 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 1.29 0.00 0.00 8 L 8.01 3.95 0.00 1.70 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.94 3.86 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 1.22 0.00 0.00 10 G 8.07 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 11 K 7.94 4.02 0.00 1.88 1.70 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.44 7.81 12 T 8.61 5.24 4.21 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 1.16 0.00 0.00 13 I 8.06 4.44 1.90 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 1.26 0.91 0.99 0.00 0.00 14 T 8.46 5.02 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 15 L 9.12 4.84 0.00 1.53 1.44 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.57 4.96 0.00 1.80 1.83 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 2.18 2.23 0.00 17 V 8.65 4.63 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 0.57 0.00 0.00 0.85 0.00 0.00 18 E 9.55 4.71 0.00 1.95 1.77 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 0.00 2.19 2.22 0.00 19 P 0.00 4.37 0.00 2.16 2.11 0.00 3.53 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 20 S 7.77 4.63 0.00 3.82 3.83 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 21 D 8.33 4.52 0.00 2.83 2.56 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 22 T 8.24 4.53 4.41 0.00 0.00 0.00 0.00 0.00 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 23 I 8.22 3.65 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.89 0.85 0.00 0.00 24 E 8.15 3.88 0.00 2.26 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 2.32 2.39 0.00 25 N 8.04 4.32 0.00 3.04 2.83 0.00 0.00 6.70 7.70 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 26 V 7.46 3.52 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 0.98 0.00 0.00 0.95 0.00 0.00 27 K 8.51 4.58 0.00 2.02 1.87 0.00 1.79 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.47 7.81 28 A 8.14 4.03 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 29 K 8.21 4.05 0.00 1.85 1.87 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.66 7.81 30 I 7.52 4.07 2.16 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 1.40 0.66 0.91 0.00 0.00 31 Q 8.01 4.10 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.18 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 32 D 7.91 4.84 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.12 4.47 0.00 1.71 1.92 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.16 1.32 7.81 34 E 8.21 4.58 0.00 2.01 1.86 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 2.22 2.39 0.00 35 G 8.82 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 0.00 0.00 0.00 0.00 36 I 7.04 4.25 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 1.30 0.68 0.91 0.00 0.00 37 P 0.00 4.21 0.00 2.17 2.09 0.00 3.62 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 38 P 0.00 4.22 0.00 2.17 2.12 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 39 D 8.14 4.70 0.00 2.78 2.78 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 0.00 0.00 0.00 40 Q 8.17 4.68 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 7.04 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 41 Q 8.34 4.26 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 42 R 9.27 4.99 0.00 1.71 1.75 0.00 3.22 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.46 5.34 0.00 1.49 1.47 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.49 5.14 1.94 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 1.13 1.25 1.02 0.00 0.00 45 F 9.27 5.05 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.38 3.50 0.77 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 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.99 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 0.00 0.00 0.00 48 K 7.97 4.46 0.00 1.86 1.75 0.00 1.95 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.61 7.81 49 Q 8.47 4.80 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 50 L 8.37 4.31 0.00 1.32 0.85 0.68 0.44 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 51 E 8.01 4.60 0.00 2.07 1.92 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 2.40 2.61 0.00 52 D 8.80 4.38 0.00 2.75 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 53 G 8.04 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 4.58 0.00 2.18 1.99 0.00 3.04 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 55 T 8.25 4.85 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 1.29 0.00 0.00 56 L 8.65 4.09 0.00 1.85 1.73 0.89 0.82 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 57 S 8.45 4.11 0.00 4.01 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.56 4.24 0.00 2.84 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 59 Y 7.64 4.47 0.00 3.05 3.16 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 0.00 0.00 0.00 0.00 60 N 8.61 4.20 0.00 2.83 2.98 0.00 0.00 7.07 5.12 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 61 I 7.56 4.11 1.66 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.74 0.45 0.00 0.00 62 Q 8.59 4.61 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 63 K 8.53 3.90 0.00 1.81 1.82 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.50 7.81 64 E 9.44 3.55 0.00 2.06 2.38 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 2.34 2.22 0.00 65 S 7.60 4.96 0.00 3.66 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 66 T 8.66 5.10 4.31 0.00 0.00 0.00 0.00 0.00 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 67 L 8.93 4.99 0.00 1.60 1.55 0.81 0.94 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 68 H 8.77 5.35 0.00 3.13 3.20 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.56 5.06 0.00 1.78 1.53 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.64 4.66 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 0.89 0.00 0.00 0.93 0.00 0.00 71 L 8.54 5.07 0.00 1.55 1.62 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.39 4.61 0.00 1.64 1.80 0.00 3.25 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 73 L 8.36 4.42 0.00 1.62 1.54 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.40 4.76 0.00 1.75 1.85 0.00 3.21 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 75 G 7.43 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.18 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