NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2109 8.4387 118.2180 55.9247 29.9427 174.5659 2 A 3.7981 7.7008 122.0838 51.1372 17.2598 172.3976 3 V 4.5068 7.5203 109.9970 60.2664 35.2521 174.8926 4 G 3.8637 7.7279 106.4405 43.8527 0.0000 172.2509 5 P 4.4900 0.0000 0.0000 61.3136 32.1098 174.7799 6 P 4.3880 0.0000 0.0000 65.9641 31.3893 175.4650 7 Y 4.5728 6.2629 113.8955 56.6763 40.4908 172.4846 8 T 4.7261 8.6818 114.5621 60.2643 71.7826 171.6356 9 L 4.9453 8.2705 120.8476 53.0878 44.8326 176.7407 10 C 5.1501 8.9896 120.3099 54.7692 44.5680 173.7161 11 F 4.6106 8.9448 122.0477 57.5563 39.4246 174.8251 12 E 4.6868 8.4827 122.6746 54.9041 31.2264 174.0841 13 C 5.1033 8.9958 123.7103 55.7798 45.3167 173.4177 14 N 5.3819 8.6618 119.0634 52.9148 40.8270 174.9886 15 R 4.8861 8.9789 126.3115 57.9571 29.8429 177.9647 16 M 4.1208 8.1499 118.0688 57.6893 32.8064 176.8118 17 T 4.3667 7.7538 113.8176 64.8946 70.1449 173.9763 18 S 4.4554 7.8627 115.3110 58.1818 64.7102 175.5145 19 S 4.9736 8.5336 115.9470 58.8977 64.7949 174.1644 20 D 4.6663 7.7321 120.7418 53.5540 38.8164 177.7053 21 C 4.5882 7.8351 119.2935 57.7089 41.7352 172.2518 22 S 4.3483 7.7593 114.1006 58.0500 64.2960 173.2590 23 T 4.6126 7.8988 111.0188 60.3051 70.4410 173.3626 24 A 4.7791 8.5415 127.6688 49.9397 21.0676 175.4977 25 L 4.7436 8.5106 121.9300 52.4104 45.5320 176.2644 26 R 4.2541 8.3708 120.2488 56.4632 30.9110 176.7345 27 C 4.5168 9.4707 124.8545 55.3550 45.1756 173.5413 28 Y 4.0452 9.0468 125.3860 58.9971 38.3751 176.0399 29 R 4.3084 8.8711 128.1268 58.5584 30.1606 175.5425 30 G 3.9162 7.6911 113.4204 43.9246 0.0000 170.3367 31 S 4.8495 8.5987 114.5526 56.6936 67.1925 172.6201 32 C 5.2625 9.0300 117.3802 56.9520 40.8557 172.7160 33 Y 5.5118 8.5162 118.0880 56.3956 41.8040 173.6552 34 T 4.8530 9.2137 116.5311 61.7026 72.7090 172.5999 35 L 5.1731 9.1830 128.7466 53.6976 44.3638 174.5851 36 Y 5.3176 9.7164 124.6559 56.4896 41.1099 174.9991 37 R 5.2035 8.8494 120.6417 53.4383 34.6347 173.1138 38 P 4.9516 0.0000 0.0000 63.0747 32.3101 176.3422 39 D 4.7211 8.9369 123.2444 52.1393 41.3436 176.5194 40 E 3.9178 8.7048 116.0205 59.1249 29.4156 177.2056 41 N 4.7016 8.5346 115.9318 52.6067 38.6534 174.1100 42 C 3.8373 8.1313 117.0557 60.6813 30.5144 172.2750 43 E 4.7765 8.1123 116.3299 53.6915 31.9836 175.7906 44 L 4.6574 8.5908 124.5245 55.0254 42.6100 176.7058 45 K 4.9688 9.0807 122.1914 53.8861 36.4034 175.9695 46 W 4.4759 9.2667 121.1087 57.2214 28.3223 175.0450 47 A 4.4395 9.5566 122.9672 52.9486 21.5555 176.3723 48 V 5.0195 7.8255 113.6262 61.2346 35.5229 174.3583 49 K 4.5114 8.8285 126.1826 54.9095 35.8716 175.9460 50 G 4.1187 7.0438 109.2983 46.0373 0.0000 170.5730 51 C 5.7688 9.0307 119.7094 54.8790 46.7282 174.5683 52 A 4.8410 9.1388 126.2324 50.3512 22.0525 176.8629 53 E 4.2045 9.0787 121.7320 58.2158 30.0884 177.3891 54 T 4.6343 7.4004 112.7912 61.0640 71.8875 174.0430 55 C 4.2101 8.7584 124.9062 56.0800 43.9401 171.8906 56 P 4.3589 0.0000 0.0000 62.9595 31.5469 175.5568 57 T 4.4261 8.1134 117.0390 61.9174 69.9702 174.6372 58 A 4.3602 8.4039 129.1636 51.1602 19.8775 177.3408 59 G 3.9789 8.1573 110.2445 43.9137 0.0000 172.9159 60 P 4.3646 0.0000 0.0000 64.7177 31.3271 176.8000 61 N 4.9747 8.0229 115.5827 52.7202 38.9198 173.3651 62 E 5.0010 7.7883 116.9780 55.4547 34.4894 174.4402 63 R 4.7881 9.1348 119.8367 55.0361 33.9319 173.7054 64 V 5.2057 8.5865 124.4344 61.0310 34.6613 174.3029 65 K 4.7751 9.4039 127.9624 54.9208 34.9610 174.0456 66 C 5.7797 8.8461 124.1999 55.7080 44.1546 172.0468 67 C 5.0353 9.1170 114.5563 55.0865 44.3496 174.7380 68 R 4.0722 8.6549 118.7985 56.6989 31.4486 177.3065 69 S 4.2684 7.7818 113.0066 56.9578 63.7631 171.8132 70 P 4.4304 0.0000 0.0000 63.7446 31.3792 176.2377 71 R 3.5547 8.7386 121.0678 57.2187 28.0440 175.2616 72 C 4.4649 8.0168 114.2202 57.3794 42.6024 173.9693 73 N 4.7099 7.9990 120.5371 51.8075 35.9108 174.8224 74 D 4.3946 7.3659 113.9947 52.9428 40.6488 176.5581 75 D 4.4733 7.8914 123.6362 55.8189 41.1471 175.3731 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 8.44 4.21 0.00 2.32 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 5.69 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 2 A 7.70 3.80 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 3 V 7.52 4.51 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 0.77 0.00 0.00 0.94 0.00 0.00 4 G 7.73 3.86 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 0.00 0.00 0.00 5 P 0.00 4.49 0.00 1.86 1.80 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 6 P 0.00 4.39 0.00 2.31 2.21 0.00 3.53 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.79 0.00 7 Y 6.26 4.57 0.00 2.41 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 0.00 0.00 0.00 8 T 8.68 4.73 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 1.19 0.00 0.00 9 L 8.27 4.95 0.00 1.44 1.29 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.99 5.15 0.00 2.68 2.79 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 11 F 8.94 4.61 0.00 2.95 2.77 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 12 E 8.48 4.69 0.00 1.89 1.81 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 2.19 2.28 0.00 13 C 9.00 5.10 0.00 2.54 2.96 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 0.00 0.00 0.00 14 N 8.66 5.38 0.00 2.83 2.70 0.00 0.00 6.91 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 15 R 8.98 4.89 0.00 1.34 1.61 0.00 2.21 0.00 0.00 2.25 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 16 M 8.15 4.12 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 17 T 7.75 4.37 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 1.23 0.00 0.00 18 S 7.86 4.46 0.00 3.85 3.77 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 19 S 8.53 4.97 0.00 4.06 3.85 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 20 D 7.73 4.67 0.00 2.85 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 21 C 7.84 4.59 0.00 2.87 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 22 S 7.76 4.35 0.00 3.83 3.85 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 23 T 7.90 4.61 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 24 A 8.54 4.78 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.51 4.74 0.00 1.48 1.48 0.90 0.64 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 26 R 8.37 4.25 0.00 1.46 1.21 0.00 2.67 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.29 0.00 27 C 9.47 4.52 0.00 2.87 3.01 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 28 Y 9.05 4.05 0.00 3.06 2.98 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 0.00 0.00 0.00 29 R 8.87 4.31 0.00 1.88 1.90 0.00 3.37 0.00 0.00 3.38 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 30 G 7.69 3.92 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 0.00 0.00 0.00 31 S 8.60 4.85 0.00 4.06 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 32 C 9.03 5.26 0.00 3.04 3.01 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 33 Y 8.52 5.51 0.00 3.07 3.01 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 34 T 9.21 4.85 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 0.45 0.00 0.00 35 L 9.18 5.17 0.00 1.92 1.67 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 9.72 5.32 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.85 5.20 0.00 1.73 1.78 0.00 3.13 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 38 P 0.00 4.95 0.00 2.08 2.07 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 39 D 8.94 4.72 0.00 2.83 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 E 8.70 3.92 0.00 2.09 2.12 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 2.26 2.33 0.00 41 N 8.53 4.70 0.00 2.83 2.86 0.00 0.00 6.93 8.27 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 42 C 8.13 3.84 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 4.78 0.00 2.03 1.81 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 2.29 2.42 0.00 44 L 8.59 4.66 0.00 1.47 1.64 0.81 0.92 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 45 K 9.08 4.97 0.00 1.59 1.54 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.47 7.81 46 W 9.27 4.48 0.00 3.05 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.56 4.44 1.30 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 0.00 0.00 0.00 48 V 7.83 5.02 2.25 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 0.98 0.00 0.00 1.03 0.00 0.00 49 K 8.83 4.51 0.00 1.45 1.46 0.00 0.80 0.00 0.00 1.39 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 0.77 7.81 50 G 7.04 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 51 C 9.03 5.77 0.00 2.95 2.96 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 0.00 0.00 0.00 52 A 9.14 4.84 1.27 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 0.00 0.00 53 E 9.08 4.20 0.00 1.97 2.01 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 2.31 2.32 0.00 54 T 7.40 4.63 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 1.20 0.00 0.00 55 C 8.76 4.21 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.36 0.00 1.72 1.67 0.00 3.36 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 0.49 1.55 0.00 57 T 8.11 4.43 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 1.21 0.00 0.00 58 A 8.40 4.36 1.30 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 0.00 0.00 0.00 59 G 8.16 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.36 0.00 2.20 2.20 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 61 N 8.02 4.97 0.00 2.72 2.85 0.00 0.00 6.72 7.66 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 62 E 7.79 5.00 0.00 1.80 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 2.29 2.29 0.00 63 R 9.13 4.79 0.00 1.88 1.77 0.00 2.89 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 64 V 8.59 5.21 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 0.97 0.00 0.00 1.00 0.00 0.00 65 K 9.40 4.78 0.00 2.11 1.91 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.54 7.81 66 C 8.85 5.78 0.00 2.91 3.01 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 67 C 9.12 5.04 0.00 2.98 3.17 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 0.00 68 R 8.65 4.07 0.00 1.80 2.00 0.00 3.21 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 69 S 7.78 4.27 0.00 3.98 3.98 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 0.00 0.00 0.00 70 P 0.00 4.43 0.00 2.01 2.00 0.00 3.84 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 71 R 8.74 3.55 0.00 1.86 2.05 0.00 3.10 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.30 0.00 72 C 8.02 4.46 0.00 3.09 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 73 N 8.00 4.71 0.00 2.78 2.90 0.00 0.00 5.92 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.37 4.39 0.00 2.44 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 75 D 7.89 4.47 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00