NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5325 8.1593 117.3244 63.1198 70.3393 171.9151 2 P 4.9279 0.0000 0.0000 60.1272 35.4581 171.8191 3 D 4.5061 8.9287 120.3855 55.4304 40.8551 178.1582 4 C 4.7970 8.6147 123.6471 57.8715 43.6184 173.9057 5 V 4.4632 7.2450 114.6250 61.4005 33.9051 172.2829 6 T 4.9545 8.1630 118.1574 61.9472 72.3458 173.7150 7 G 3.8535 8.1578 114.7926 45.3219 0.0000 172.1535 8 K 4.3222 8.2251 118.9435 55.5729 32.7494 177.2896 9 V 3.7979 8.0345 120.6150 62.3385 31.6131 175.4119 10 E 4.2602 8.9821 130.4644 59.3024 30.1065 176.2479 11 Y 4.9114 6.9966 114.2410 56.4348 40.7309 173.2444 12 T 5.1142 8.7512 110.6367 59.9998 72.1024 174.1224 13 K 4.2688 8.5992 122.8315 55.4982 34.6307 175.0927 14 Y 3.9584 8.5678 127.5283 58.2112 39.2762 175.6175 15 N 4.8461 8.0108 125.9318 52.2908 40.5229 174.3379 16 D 4.6329 8.6240 117.0996 57.4673 41.5135 178.3053 17 D 4.3935 7.8760 117.0525 55.0870 39.3757 176.5468 18 D 4.5811 7.6786 118.3208 53.6980 39.5471 174.8628 19 T 4.1176 10.7500 110.4263 61.3798 70.8958 173.9611 20 F 4.9916 8.2682 122.4930 56.4095 39.7636 172.7915 21 T 5.0312 8.5143 119.2283 62.8800 69.8052 173.2161 22 V 4.7628 8.6088 124.6934 59.6278 35.4301 174.4730 23 K 4.6440 8.2146 123.1948 53.7423 34.7033 174.6645 24 V 4.3409 8.0090 127.9229 60.9148 34.1421 175.2050 25 G 3.9486 9.0364 117.9849 47.0650 0.0000 173.8688 26 D 5.0019 8.9094 119.9091 52.3472 39.8588 175.4137 27 K 4.8471 7.8615 117.2337 55.5744 36.9649 175.0150 28 E 4.8387 8.7154 123.7325 54.7180 32.1036 174.7467 29 L 5.7559 8.5044 126.7424 53.8711 46.7401 174.6964 30 F 5.5415 9.1755 113.5822 57.2097 41.6032 172.8275 31 T 3.8457 8.0020 111.6781 60.5428 70.0753 173.9174 32 N 3.9715 8.1402 122.9180 54.3311 39.3102 175.6730 33 R 3.8126 7.3409 117.8817 55.6878 29.8518 177.4073 34 W 4.1906 8.7075 123.9486 58.9373 29.5266 177.8805 35 N 4.5404 8.2994 116.9389 56.4744 38.5342 176.6452 36 L 4.0986 7.6920 120.0533 57.3430 41.7112 179.3469 37 Q 3.1736 7.8089 118.1246 58.5701 28.3997 178.3019 38 S 4.1995 7.7906 114.0245 60.6217 62.3934 176.3086 39 L 3.9025 7.7280 121.5851 57.5935 41.4942 178.9684 40 L 4.2362 8.5131 119.2680 57.9332 41.6100 179.3976 41 L 4.1554 7.8634 119.7013 58.4213 41.6280 179.2340 42 S 4.3350 8.0144 114.7649 61.1619 62.6058 176.4895 43 A 4.1516 8.0457 124.0349 55.2019 17.9492 178.8568 44 Q 3.9714 8.3231 117.7039 60.1725 29.3973 178.2049 45 I 3.5252 8.7644 119.9873 64.8326 37.0192 177.4998 46 T 3.9698 7.6003 114.4220 62.8548 69.1918 174.2584 47 G 3.8500 8.5490 109.5115 47.0117 0.0000 174.0076 48 M 4.4049 8.1627 118.6829 55.3346 33.3837 176.1722 49 T 4.5532 8.2447 115.9920 62.2584 70.6719 174.3291 50 V 4.8271 8.2213 120.0689 59.7054 35.4419 175.1499 51 T 4.7450 8.2675 120.0016 61.9206 71.0996 173.4160 52 I 4.2750 8.6273 128.5636 60.2871 39.0471 175.3613 53 K 4.9582 8.5731 125.3989 55.2444 34.1133 175.3768 54 T 4.4716 8.2562 118.1974 61.6584 70.4858 173.5163 55 N 4.4841 8.9137 122.1251 56.0673 39.4284 178.6374 56 A 4.2562 7.8483 123.0904 51.9169 17.8450 179.7640 57 C 4.6874 8.1082 116.6434 57.6294 41.7116 172.3024 58 H 5.1394 8.3725 112.4873 52.5340 31.2102 172.3814 59 N 4.6246 8.6570 117.5468 55.3484 38.7512 175.4924 60 G 4.0526 9.0999 110.9398 45.1778 0.0000 174.1514 61 G 3.8253 8.4241 108.0140 46.9230 0.0000 172.9145 62 G 4.6028 8.7509 109.5328 44.2762 0.0000 172.6051 63 F 5.2456 8.2587 116.2277 55.0822 40.9167 174.6871 64 S 4.3188 8.7446 111.2952 57.3658 64.7318 173.3372 65 E 4.7414 8.1304 121.1907 54.6753 32.6225 174.8374 66 V 4.6847 8.4138 123.2932 61.0395 35.2466 174.2728 67 I 4.3596 8.1044 127.3510 59.6024 39.6524 174.6290 68 F 4.8430 8.9143 126.5780 56.0503 39.3592 176.1956 69 R 4.2782 8.6428 122.8704 56.2686 30.1579 176.8883 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 T 8.16 4.53 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 2 P 0.00 4.93 0.00 2.12 2.09 0.00 3.82 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 1.95 2.06 0.00 3 D 8.93 4.51 0.00 2.54 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 4 C 8.61 4.80 0.00 3.16 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 5 V 7.25 4.46 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 0.70 0.00 0.00 0.96 0.00 0.00 6 T 8.16 4.95 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 1.17 0.00 0.00 7 G 8.16 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 0.00 0.00 0.00 8 K 8.23 4.32 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.42 7.81 9 V 8.03 3.80 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 0.77 0.00 0.00 0.95 0.00 0.00 10 E 8.98 4.26 0.00 1.96 1.75 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 2.37 2.26 0.00 11 Y 7.00 4.91 0.00 2.97 2.95 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 12 T 8.75 5.11 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 1.53 0.00 0.00 13 K 8.60 4.27 0.00 1.63 1.77 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.36 7.81 14 Y 8.57 3.96 0.00 3.23 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.01 4.85 0.00 2.66 2.77 0.00 0.00 7.02 8.67 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 16 D 8.62 4.63 0.00 2.82 2.68 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 17 D 7.88 4.39 0.00 2.79 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 18 D 7.68 4.58 0.00 2.83 3.32 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 19 T 10.75 4.12 4.47 0.00 0.00 0.00 0.00 0.00 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 20 F 8.27 4.99 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 5.03 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 1.32 0.00 0.00 22 V 8.61 4.76 2.28 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 0.53 0.00 0.00 0.95 0.00 0.00 23 K 8.21 4.64 0.00 1.20 0.74 0.00 1.46 0.00 0.00 1.48 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.94 1.13 7.81 24 V 8.01 4.34 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 0.86 0.00 0.00 0.74 0.00 0.00 25 G 9.04 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 26 D 8.91 5.00 0.00 2.74 2.69 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 27 K 7.86 4.85 0.00 1.56 1.63 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.45 7.81 28 E 8.72 4.84 0.00 2.06 1.82 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 2.26 2.32 0.00 29 L 8.50 5.76 0.00 1.54 1.83 0.72 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.18 5.54 0.00 3.21 3.28 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 31 T 8.00 3.85 2.69 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 0.86 0.00 0.00 32 N 8.14 3.97 0.00 2.42 2.51 0.00 0.00 6.99 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 33 R 7.34 3.81 0.00 1.68 1.82 0.00 3.21 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 34 W 8.71 4.19 0.00 3.33 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 35 N 8.30 4.54 0.00 2.91 2.83 0.00 0.00 7.24 6.66 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 36 L 7.69 4.10 0.00 1.59 1.66 0.79 1.11 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 37 Q 7.81 3.17 0.00 2.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.93 0.00 0.00 0.00 0.00 0.00 1.30 2.10 0.00 38 S 7.79 4.20 0.00 3.84 3.82 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 39 L 7.73 3.90 0.00 1.85 1.43 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.51 4.24 0.00 1.80 2.00 1.29 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.86 4.16 0.00 2.03 1.76 1.23 1.03 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 42 S 8.01 4.33 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.15 1.67 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.32 3.97 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 45 I 8.76 3.53 1.91 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 1.62 0.62 0.93 0.00 0.00 46 T 7.60 3.97 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 1.32 0.00 0.00 47 G 8.55 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 0.00 0.00 0.00 48 M 8.16 4.40 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 49 T 8.24 4.55 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 1.20 0.00 0.00 50 V 8.22 4.83 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 0.80 0.00 0.00 0.84 0.00 0.00 51 T 8.27 4.74 4.16 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 1.18 0.00 0.00 52 I 8.63 4.27 1.62 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.62 0.45 0.00 0.00 53 K 8.57 4.96 0.00 1.72 1.70 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.30 7.81 54 T 8.26 4.47 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 1.20 0.00 0.00 55 N 8.91 4.48 0.00 2.76 2.86 0.00 0.00 6.88 7.35 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 56 A 7.85 4.26 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 57 C 8.11 4.69 0.00 2.94 3.09 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 58 H 8.37 5.14 0.00 3.31 3.36 0.00 5.54 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.66 4.62 0.00 2.77 2.85 0.00 0.00 7.08 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 60 G 9.10 4.05 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 0.00 0.00 0.00 61 G 8.42 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 0.00 0.00 0.00 62 G 8.75 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 5.25 0.00 2.93 2.88 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 64 S 8.74 4.32 0.00 3.83 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 65 E 8.13 4.74 0.00 2.09 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 2.26 2.24 0.00 66 V 8.41 4.68 1.82 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 -0.06 0.00 0.00 1.07 0.00 0.00 67 I 8.10 4.36 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 1.21 0.56 0.91 0.00 0.00 68 F 8.91 4.84 0.00 2.86 2.95 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 69 R 8.64 4.28 0.00 1.89 1.84 0.00 3.25 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00