NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9454 8.3549 109.7376 45.1665 0.0000 173.3981 3 K 3.7823 8.6297 119.3951 55.9058 32.7372 170.7526 4 V 4.5167 8.6284 121.7914 61.3728 35.5236 173.5603 5 Y 5.0454 8.7949 123.8178 56.0470 41.2538 174.6744 6 K 4.5107 8.3780 122.2633 54.4184 35.7593 174.7742 7 K 4.8540 8.4342 124.2326 54.5852 34.5369 175.5564 8 V 4.4871 8.8985 125.2040 61.0599 34.5346 173.6400 9 E 5.0473 8.7107 127.1686 54.7756 30.8993 174.8024 10 L 4.9430 9.1273 126.1988 52.8430 46.4496 175.6323 11 V 4.6886 8.3323 119.9150 61.2739 33.6940 174.9940 12 G 4.2097 8.8599 116.2343 45.4847 0.0000 172.1259 13 T 5.3498 8.1228 111.9891 60.0715 72.0443 172.9039 14 S 4.6786 8.7985 115.9448 57.8941 65.9185 175.2825 15 E 4.4798 8.9858 123.7703 57.9611 30.0435 177.9524 16 E 4.1601 8.6542 118.9313 57.0053 30.0568 176.9002 17 G 3.4251 7.4339 105.4260 44.4040 0.0000 172.9649 18 L 3.7543 7.3009 118.2176 57.9095 41.5196 179.6113 19 E 3.9123 8.0319 117.7552 59.3473 29.4274 179.1786 20 A 4.1014 7.8696 120.1292 54.7080 18.6083 179.4496 21 A 3.9318 7.7835 119.4371 55.3429 18.5040 179.8809 22 I 3.4913 7.7256 118.2974 64.6732 37.0755 178.6825 23 Q 3.9059 8.4319 118.9769 58.7804 28.5428 178.9230 24 A 3.9123 8.0662 121.6142 55.0118 18.3513 179.5257 25 A 3.8976 7.7838 118.9696 55.3888 18.5607 179.9422 26 L 3.8348 7.9243 117.2555 57.7136 41.3958 179.6100 27 A 3.9672 8.0388 120.4786 55.0488 18.5834 179.3741 28 R 3.9350 7.9185 116.6232 59.3139 30.1214 178.3921 29 A 3.9149 8.2205 120.9536 55.3321 18.0955 179.7280 30 R 3.8683 7.6488 115.2550 59.3227 30.1143 179.0990 31 K 4.1504 7.9449 117.9182 58.5077 32.1019 177.8122 32 T 4.4844 7.7159 105.8644 60.6129 70.6554 173.6348 33 L 4.4461 7.9217 121.9570 52.7025 43.8668 175.8380 34 R 4.4908 7.8420 119.9762 55.4902 33.2978 174.9201 35 H 4.1791 8.4322 113.4421 56.8754 26.1238 175.2876 36 L 4.5662 8.0691 118.4985 55.3096 42.3496 176.2400 37 D 5.1892 9.3247 122.4619 55.3305 43.5626 175.9612 38 W 5.5329 7.8924 113.2090 55.1830 31.9062 173.2178 39 F 5.3058 8.3444 114.1909 55.2781 41.1425 173.8124 40 E 4.6889 9.3509 118.8722 54.6255 33.2206 175.1670 41 V 4.2580 8.7498 125.2109 63.0261 31.7940 175.4788 42 K 4.5424 9.3322 127.1187 57.8108 33.9487 176.6953 43 E 4.8402 7.9259 117.0163 54.9576 34.3044 174.3693 44 I 5.0467 8.3889 123.2665 59.7400 40.2159 174.8967 45 R 4.6241 8.8694 123.0866 56.1431 33.4238 173.2661 46 G 4.1941 8.0793 104.9516 46.7585 0.0000 172.5769 47 T 4.7730 8.0480 109.9185 60.0005 71.8024 173.5949 48 I 4.8046 8.2246 122.2847 59.7832 40.0013 175.4584 49 G 4.3753 8.6296 116.1491 44.1079 0.0000 172.9228 50 E 3.9113 8.8789 117.3075 58.5307 29.6258 177.4704 51 A 4.5740 8.0063 119.1961 51.2734 20.8694 175.6025 52 G 4.1112 7.0891 103.5223 43.9077 0.0000 177.0713 53 V 3.7487 8.3764 125.6597 62.6860 31.2576 174.6818 54 K 4.2051 8.3300 130.1792 57.7743 32.1040 175.8479 55 E 4.8722 8.2831 118.3411 54.5683 33.7570 174.2523 56 Y 4.7491 9.2498 121.2682 57.5602 39.9465 174.5828 57 Q 5.0869 9.3702 121.9762 54.1677 32.7178 174.3499 58 V 4.6851 9.0918 124.7187 61.0550 34.2778 174.2874 59 V 4.7870 8.6724 129.0174 61.8191 32.9097 174.6698 60 L 5.2202 9.1098 127.3525 54.4744 44.4776 174.5264 61 E 5.0334 9.3467 120.3758 54.9969 31.8956 175.0921 62 V 4.5516 9.0755 124.0620 60.9783 34.2752 174.2671 63 G 2.8297 8.1245 115.6191 43.8342 0.0000 172.2606 64 F 5.6472 8.3398 118.1971 55.1437 41.8962 173.4222 65 R 4.0962 8.7438 121.4324 56.0173 30.5718 175.9684 66 L 4.4435 8.3347 127.0953 54.2362 42.5152 176.8882 67 E 4.0163 8.6895 122.8993 57.3587 30.3572 176.8208 68 E 4.1084 8.7424 120.9124 56.8024 28.9967 174.4751 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 2 G 8.35 3.95 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 0.00 3 K 8.63 3.78 0.00 1.86 1.43 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.49 7.81 4 V 8.63 4.52 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 1.09 0.00 0.00 0.96 0.00 0.00 5 Y 8.79 5.05 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.38 4.51 0.00 1.40 0.74 0.00 1.58 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.10 1.24 7.81 7 K 8.43 4.85 0.00 1.62 1.79 0.00 2.11 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.10 1.36 7.81 8 V 8.90 4.49 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 0.97 0.00 0.00 1.17 0.00 0.00 9 E 8.71 5.05 0.00 2.14 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 2.22 2.45 0.00 10 L 9.13 4.94 0.00 1.53 1.47 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.33 4.69 2.08 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 8.86 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 0.00 0.00 0.00 0.00 13 T 8.12 5.35 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 1.22 0.00 0.00 14 S 8.80 4.68 0.00 3.92 3.78 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 15 E 8.99 4.48 0.00 2.03 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 2.46 2.33 0.00 16 E 8.65 4.16 0.00 1.96 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 2.37 2.41 0.00 17 G 7.43 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.30 3.75 0.00 1.56 1.62 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.03 3.91 0.00 2.00 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 2.39 2.42 0.00 20 A 7.87 4.10 1.29 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 0.00 0.00 21 A 7.78 3.93 1.46 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 0.00 0.00 0.00 22 I 7.73 3.49 1.83 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 1.37 0.94 0.24 0.00 0.00 23 Q 8.43 3.91 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 24 A 8.07 3.91 1.37 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 0.00 0.00 0.00 25 A 7.78 3.90 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 26 L 7.92 3.83 0.00 1.61 1.65 0.60 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.04 3.97 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 28 R 7.92 3.93 0.00 1.93 1.88 0.00 3.12 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 1.59 1.64 0.00 29 A 8.22 3.91 1.28 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 0.00 0.00 0.00 30 R 7.65 3.87 0.00 1.95 1.98 0.00 3.14 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 31 K 7.94 4.15 0.00 1.75 1.83 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.55 7.81 32 T 7.72 4.48 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 1.16 0.00 0.00 33 L 7.92 4.45 0.00 1.31 0.76 0.52 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.84 4.49 0.00 1.69 1.49 0.00 3.41 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 35 H 8.43 4.18 0.00 3.66 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.07 4.57 0.00 1.66 1.66 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.32 5.19 0.00 3.12 3.05 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 0.00 0.00 0.00 0.00 38 W 7.89 5.53 0.00 3.25 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 39 F 8.34 5.31 0.00 3.07 2.97 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 40 E 9.35 4.69 0.00 1.97 1.93 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 2.39 2.56 0.00 41 V 8.75 4.26 2.18 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 0.83 0.00 0.00 1.14 0.00 0.00 42 K 9.33 4.54 0.00 1.74 1.86 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.44 7.81 43 E 7.93 4.84 0.00 1.90 1.80 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 2.32 2.37 0.00 44 I 8.39 5.05 1.91 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 1.44 0.65 0.99 0.00 0.00 45 R 8.87 4.62 0.00 1.82 2.03 0.00 2.97 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 46 G 8.08 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 0.00 0.00 0.00 47 T 8.05 4.77 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 1.18 0.00 0.00 48 I 8.22 4.80 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 1.23 0.64 0.91 0.00 0.00 49 G 8.63 4.38 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 0.00 50 E 8.88 3.91 0.00 1.96 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 2.30 2.29 0.00 51 A 8.01 4.57 1.25 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 0.00 0.00 52 G 7.09 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 3.75 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 -0.30 0.00 0.00 0.72 0.00 0.00 54 K 8.33 4.21 0.00 1.81 1.76 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.37 7.81 55 E 8.28 4.87 0.00 1.91 1.76 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 2.20 2.22 0.00 56 Y 9.25 4.75 0.00 2.99 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 57 Q 9.37 5.09 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 9.09 4.69 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 0.96 0.00 0.00 0.95 0.00 0.00 59 V 8.67 4.79 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 60 L 9.11 5.22 0.00 1.99 1.77 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.35 5.03 0.00 1.90 1.88 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 2.29 2.43 0.00 62 V 9.08 4.55 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 1.03 0.00 0.00 0.91 0.00 0.00 63 G 8.12 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 0.00 0.00 0.00 64 F 8.34 5.65 0.00 3.35 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 65 R 8.74 4.10 0.00 2.12 1.90 0.00 3.10 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.94 0.00 66 L 8.33 4.44 0.00 1.58 1.55 0.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.69 4.02 0.00 1.99 1.89 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 2.34 2.38 0.00 68 E 8.74 4.11 0.00 2.12 2.06 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 0.00 2.17 2.28 0.00