NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3876 8.1744 110.9439 61.2322 70.3705 173.3067 6 N 4.8554 7.9466 119.2833 53.2771 39.4957 172.9720 7 S 4.5160 8.9621 113.4331 57.3054 65.0108 173.2056 8 D 4.6825 8.6589 121.2354 55.1636 41.6714 175.7999 9 F 5.3069 7.8241 114.8309 55.2262 41.5858 174.0233 10 V 4.6225 8.8580 111.7977 59.4969 35.6007 174.9399 11 V 4.7891 8.6468 123.1854 61.2776 34.1446 174.4155 12 I 4.9108 9.0770 128.4489 59.4409 40.6490 174.0978 13 K 5.0684 9.2044 129.2831 54.2048 34.5406 175.0665 14 A 4.4185 8.9505 130.5205 52.2712 19.0973 177.4481 15 L 4.6187 9.0576 122.4719 54.6393 42.4287 176.1512 16 E 4.6852 7.6549 115.2590 55.0044 31.9970 174.6684 17 D 4.3657 8.4068 119.7825 55.8315 41.3281 176.8962 18 G 3.8614 8.4713 109.7224 45.7972 0.0000 173.8433 19 V 3.8637 7.6346 119.7009 63.0579 32.8670 174.3160 20 N 5.2764 9.1734 125.3160 51.5484 41.1248 173.7281 21 V 4.5226 8.6931 124.8394 61.4073 33.5006 174.3392 22 I 4.5446 8.5560 130.2517 59.3191 39.4527 175.1390 23 G 3.9989 8.6378 115.6555 45.4244 0.0000 172.3023 24 L 5.4102 8.7632 126.3827 53.1331 44.0141 176.3674 25 T 4.4228 8.7975 114.4884 61.7029 69.2130 174.2533 26 R 4.3182 8.1930 126.8164 57.0447 30.8371 175.1326 27 G 3.7546 8.7615 109.5748 44.2034 0.0000 173.0943 28 A 4.0584 8.6671 121.4837 54.2646 18.6934 177.5839 29 D 4.7969 7.8585 114.3015 52.8827 42.7812 175.9319 30 T 4.5089 8.3571 122.3495 61.7722 69.5419 172.9957 31 R 4.7845 8.7954 122.6355 54.1262 33.8747 174.1261 32 F 5.3117 8.7324 118.2920 57.8006 39.0964 175.4940 33 H 5.0205 9.0512 117.8477 56.1838 30.7645 173.8282 34 H 4.7837 7.6957 117.8269 54.8733 33.3955 171.9499 35 S 4.7114 8.2375 119.7910 56.4260 64.3843 172.4765 36 E 4.4105 9.0441 130.0778 54.9613 30.7742 174.8598 37 K 4.8750 8.5928 126.8276 55.4589 33.7554 176.0174 38 L 4.9265 8.8774 124.9006 53.0597 44.5867 176.1692 39 D 4.9527 9.1898 123.4537 52.8943 42.8582 175.9524 40 K 4.0170 8.8156 122.3104 58.3461 32.3758 177.0717 41 G 4.0408 9.0955 115.7178 45.1343 0.0000 173.6004 42 E 4.2136 8.0304 119.7276 56.3204 30.7636 176.0122 43 V 4.8220 8.3150 122.5499 61.0177 34.0772 174.2098 44 L 4.7313 9.1741 129.9072 53.2484 44.7286 174.8182 45 I 5.0183 8.4424 126.3684 59.5805 39.2772 174.7496 46 A 4.6700 8.9985 129.2883 50.1212 21.8837 175.3777 47 Q 4.7900 8.6803 121.2938 55.1139 30.2884 175.8993 48 F 4.8043 8.4309 120.3988 58.0422 39.8487 175.0174 49 T 4.7085 8.8285 111.3522 60.0551 71.9828 173.2015 50 E 4.0113 8.9369 121.6109 59.5667 29.5792 177.4191 51 H 4.4449 8.1917 114.4870 56.9216 29.6528 174.3254 52 T 5.5062 8.5923 116.5111 60.9625 70.9410 174.6078 53 S 4.9675 8.9900 119.9147 58.0335 64.8833 173.2648 54 A 5.1215 7.9000 121.4436 51.1329 22.6295 175.2247 55 I 4.9631 8.5521 120.5873 59.3764 40.7384 174.6692 56 K 4.5903 9.0172 128.2934 54.4689 34.8563 174.6511 57 V 4.7601 8.4332 126.6969 61.2675 33.5187 174.4843 58 R 4.5308 9.0426 127.3884 55.6196 32.5546 176.8351 59 G 4.0861 8.9681 108.9412 44.1764 0.0000 172.4083 60 K 4.5033 9.6160 120.4670 56.2306 32.9380 175.5835 61 A 5.1240 8.7523 128.1387 50.8976 23.4406 173.6771 62 Y 5.0656 9.1326 121.7406 55.9219 41.3868 174.5610 63 I 4.8928 8.3796 127.1190 59.4988 40.7283 174.2818 64 Q 5.0194 8.8935 126.2088 54.3095 31.7985 174.9116 65 T 4.8499 8.4941 112.6511 59.4875 72.4401 174.4637 66 R 3.7385 8.5591 120.6187 59.6198 29.7880 176.5229 67 H 4.6712 8.5515 112.3238 55.5650 29.5832 175.2582 68 G 3.7194 6.4982 106.7143 44.2741 0.0000 172.8832 69 V 4.8092 7.6443 113.0210 59.9627 35.2817 174.9449 70 I 4.3895 7.9862 120.4143 60.3850 41.9019 172.6662 71 E 5.3420 8.7227 126.0203 54.5300 31.8518 176.1321 72 S 4.6066 8.7987 118.6868 58.0221 65.0962 172.7951 73 E 4.8292 8.5352 119.7335 54.2972 32.7833 176.3653 74 G 3.7229 8.6683 110.8661 45.9365 0.0000 173.4248 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 5 T 8.17 4.39 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 1.22 0.00 0.00 6 N 7.95 4.86 0.00 2.76 2.81 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.96 4.52 0.00 4.17 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 8 D 8.66 4.68 0.00 2.79 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 9 F 7.82 5.31 0.00 2.98 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 10 V 8.86 4.62 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 0.55 0.00 0.00 0.81 0.00 0.00 11 V 8.65 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 1.12 0.00 0.00 1.15 0.00 0.00 12 I 9.08 4.91 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.46 0.90 0.00 0.00 13 K 9.20 5.07 0.00 1.88 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.95 4.42 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 15 L 9.06 4.62 0.00 1.56 1.72 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.65 4.69 0.00 2.03 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 2.19 2.31 0.00 17 D 8.41 4.37 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 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 19 V 7.63 3.86 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 0.99 0.00 0.00 0.98 0.00 0.00 20 N 9.17 5.28 0.00 2.59 2.59 0.00 0.00 6.25 7.98 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 21 V 8.69 4.52 2.03 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 0.89 0.00 0.00 0.89 0.00 0.00 22 I 8.56 4.54 1.55 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.33 -0.51 0.00 0.00 23 G 8.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.76 5.41 0.00 1.88 1.71 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.80 4.42 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 1.39 0.00 0.00 26 R 8.19 4.32 0.00 1.85 1.96 0.00 3.21 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.76 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.67 4.06 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 29 D 7.86 4.80 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 4.51 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 1.27 0.00 0.00 31 R 8.80 4.78 0.00 1.80 1.99 0.00 2.79 0.00 0.00 3.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 32 F 8.73 5.31 0.00 2.88 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 33 H 9.05 5.02 0.00 3.13 3.49 0.00 5.78 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 34 H 7.70 4.78 0.00 3.28 3.06 0.00 5.80 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 35 S 8.24 4.71 0.00 3.74 3.59 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 36 E 9.04 4.41 0.00 2.15 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 2.25 2.32 0.00 37 K 8.59 4.88 0.00 1.64 1.70 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.60 7.81 38 L 8.88 4.93 0.00 1.52 1.53 0.91 0.84 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 39 D 9.19 4.95 0.00 2.59 2.58 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 40 K 8.82 4.02 0.00 1.77 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.51 7.81 41 G 9.10 4.04 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 0.00 0.00 0.00 42 E 8.03 4.21 0.00 2.10 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 2.32 2.26 0.00 43 V 8.32 4.82 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 0.79 0.00 0.00 0.96 0.00 0.00 44 L 9.17 4.73 0.00 1.71 1.45 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.44 5.02 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.62 0.00 0.00 46 A 9.00 4.67 1.11 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 47 Q 8.68 4.79 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 48 F 8.43 4.80 0.00 3.01 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 49 T 8.83 4.71 4.30 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 1.31 0.00 0.00 50 E 8.94 4.01 0.00 1.94 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 2.10 2.29 0.00 51 H 8.19 4.44 0.00 3.24 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.59 5.51 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 1.38 0.00 0.00 53 S 8.99 4.97 0.00 3.81 4.07 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 0.00 0.00 0.00 0.00 54 A 7.90 5.12 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 55 I 8.55 4.96 1.85 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.84 0.00 0.00 56 K 9.02 4.59 0.00 1.82 1.55 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.38 7.81 57 V 8.43 4.76 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.04 4.53 0.00 1.77 1.80 0.00 3.18 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 59 G 8.97 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 60 K 9.62 4.50 0.00 1.93 1.73 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 8.75 5.12 1.23 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 0.00 0.00 0.00 62 Y 9.13 5.07 0.00 3.04 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 63 I 8.38 4.89 1.85 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 1.17 0.52 0.82 0.00 0.00 64 Q 8.89 5.02 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.09 1.92 0.00 65 T 8.49 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 1.15 0.00 0.00 66 R 8.56 3.74 0.00 1.57 1.70 0.00 3.27 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 H 8.55 4.67 0.00 3.19 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.50 3.72 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 0.00 0.00 0.00 69 V 7.64 4.81 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 0.71 0.00 0.00 1.02 0.00 0.00 70 I 7.99 4.39 1.85 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 1.22 1.05 0.86 0.00 0.00 71 E 8.72 5.34 0.00 1.92 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 2.54 2.47 0.00 72 S 8.80 4.61 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 73 E 8.54 4.83 0.00 1.83 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 2.21 2.29 0.00 74 G 8.67 3.72 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 0.00 0.00 0.00