NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4064 8.3344 116.7949 58.5869 63.0171 172.7278 3 I 4.3194 7.0492 120.7626 57.1182 40.4196 174.5691 4 S 4.2317 8.9327 121.5045 60.6656 64.1077 174.0902 5 A 3.9927 7.1970 124.3868 52.6165 18.0606 177.6146 6 R 4.0717 8.6060 121.9408 57.7763 30.8671 176.1253 7 N 4.8352 7.7515 115.6502 51.7918 40.1419 174.4070 8 Q 4.7993 8.6525 122.8229 54.2262 32.1432 175.0899 9 L 4.6617 9.0007 125.9736 52.4744 43.9921 176.5737 10 K 4.4909 8.7461 124.3031 56.7565 33.1292 176.7830 11 G 4.1257 8.9210 110.3244 45.7193 0.0000 171.2852 12 K 5.1931 8.5921 120.3952 54.0866 35.5323 175.6318 13 V 4.1363 8.8475 127.8110 63.4961 31.9478 176.3845 14 V 4.3996 8.9028 120.9678 61.2790 33.2748 176.0899 15 G 4.2722 7.7746 106.9568 45.0087 0.0000 172.3110 16 L 4.9721 8.3522 124.9661 53.6474 45.0082 174.4807 17 K 4.5962 9.2774 128.6433 54.5533 34.8400 174.5859 18 K 4.7013 8.8217 126.8935 55.1083 33.6720 176.3740 19 G 4.3862 8.2802 115.0157 44.2492 0.0000 172.7375 20 V 3.7217 8.5584 118.2236 65.5251 32.0432 177.8974 21 V 4.3226 7.8496 118.4151 63.5537 34.1742 175.0897 22 T 5.2618 7.7368 108.9457 59.9925 72.3575 172.8090 23 A 5.0899 8.7713 121.3733 50.5394 23.2347 174.6966 24 E 4.9961 9.3136 121.8172 54.4081 32.1206 174.8122 25 V 4.8047 8.8826 127.3293 61.0257 34.5273 174.1871 26 V 4.8232 8.7758 127.3676 61.1127 34.1196 174.0479 27 L 5.2518 8.9497 127.7316 52.9354 45.2050 174.8747 28 E 4.7722 9.0064 124.1256 54.9393 31.2248 175.2871 29 I 4.9399 8.3270 120.7500 58.4266 40.9192 175.0238 30 A 3.9156 8.4423 124.1187 54.0676 18.4337 178.2739 31 G 3.6835 9.0257 108.7401 46.0049 0.0000 174.7328 32 G 3.9109 8.3229 105.9072 45.0367 0.0000 173.7482 33 N 4.8419 7.5168 116.5570 52.4297 40.4371 174.2356 34 K 5.0873 8.4800 119.2730 54.7540 35.6724 175.6881 35 I 4.6359 8.7538 124.2513 59.7633 40.5868 174.5468 36 T 5.0315 8.5533 122.1084 61.7785 71.1818 173.3265 37 S 4.7832 9.2334 120.6698 56.4153 66.0319 172.5921 38 I 5.0735 8.4386 126.4618 59.7361 39.5511 174.4130 39 I 4.8530 8.3131 120.9239 58.7196 41.5201 174.7699 40 S 4.6998 8.4928 115.7868 57.9309 63.8958 174.7905 41 L 3.9334 8.8046 125.0467 58.6586 41.7446 179.3167 42 D 4.3863 8.0675 118.2511 57.4957 40.8036 178.7781 43 S 4.2212 7.9839 115.3210 61.3083 62.7662 176.8817 44 V 3.5384 7.5362 120.9837 66.0283 31.4388 177.8715 45 E 3.9486 8.0376 118.0905 59.6730 29.1473 179.3525 46 E 4.0298 8.5118 117.3525 59.0393 29.6208 178.5465 47 L 4.3765 8.4001 116.4865 53.5862 42.7075 176.6246 48 G 3.9320 7.6957 106.7225 46.4215 0.0000 174.6162 49 V 3.8277 7.7105 117.4297 62.5214 32.7572 174.9512 50 K 4.4708 8.2060 123.6110 54.9611 35.9205 174.4498 51 E 4.0808 8.6589 121.4320 58.4005 29.6550 177.1883 52 G 3.9737 8.9324 114.5753 45.0602 0.0000 173.7331 53 A 4.1559 7.8458 121.7335 52.2072 19.7510 176.3973 54 E 4.9159 8.6511 120.3091 55.1166 30.9717 175.3023 55 L 4.9257 8.7878 123.8098 53.5238 47.0850 175.1214 56 T 5.0830 8.4050 115.0700 61.9768 71.4968 173.8508 57 A 4.5818 8.9654 128.3461 50.7987 20.8431 176.0964 58 V 4.9086 8.3315 121.3863 61.0348 34.6024 174.8956 59 V 4.4682 8.7048 126.9847 60.6499 34.9951 174.7134 60 K 4.2061 8.7057 128.8185 56.2629 33.1217 177.6702 61 S 4.1822 8.7942 121.7282 61.8985 62.9288 176.4885 62 T 4.0503 7.8798 108.4434 63.5777 68.5934 174.3344 63 D 4.6266 7.9150 121.0444 54.0942 41.3336 176.0501 64 V 4.1260 7.5209 120.4506 61.5656 32.1439 175.3034 65 M 4.5063 8.3933 126.7426 54.2431 33.4979 175.3517 66 I 4.5005 8.0546 120.9822 59.3500 39.7128 175.0410 67 L 4.6610 8.4550 125.6376 53.0829 44.5171 175.8768 68 A 4.3401 8.5669 127.0236 52.3103 19.2052 176.2924 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 S 8.33 4.41 0.00 3.88 3.93 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 0.00 0.00 0.00 3 I 7.05 4.32 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 1.47 1.56 0.91 0.00 0.00 4 S 8.93 4.23 0.00 4.02 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.20 3.99 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 6 R 8.61 4.07 0.00 1.82 1.99 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 7 N 7.75 4.84 0.00 2.88 2.75 0.00 0.00 6.59 7.88 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 8 Q 8.65 4.80 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 9 L 9.00 4.66 0.00 1.51 1.57 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.75 4.49 0.00 1.64 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 11 G 8.92 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 5.19 0.00 1.92 1.61 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.48 7.81 13 V 8.85 4.14 2.21 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 0.90 0.00 0.00 0.98 0.00 0.00 14 V 8.90 4.40 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 0.77 0.00 0.00 0.97 0.00 0.00 15 G 7.77 4.27 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 0.00 16 L 8.35 4.97 0.00 1.59 1.52 0.99 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.28 4.60 0.00 1.81 1.61 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.37 7.81 18 K 8.82 4.70 0.00 1.67 1.71 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.42 7.81 19 G 8.28 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 0.00 0.00 0.00 0.00 20 V 8.56 3.72 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 0.79 0.00 0.00 0.93 0.00 0.00 21 V 7.85 4.32 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 1.05 0.00 0.00 0.93 0.00 0.00 22 T 7.74 5.26 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 1.21 0.00 0.00 23 A 8.77 5.09 1.21 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 24 E 9.31 5.00 0.00 2.00 1.79 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 2.20 2.21 0.00 25 V 8.88 4.80 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 0.96 0.00 0.00 0.93 0.00 0.00 26 V 8.78 4.82 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 1.01 0.00 0.00 0.93 0.00 0.00 27 L 8.95 5.25 0.00 1.59 1.51 0.92 0.75 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 28 E 9.01 4.77 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 2.23 2.24 0.00 29 I 8.33 4.94 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 1.20 0.82 0.94 0.00 0.00 30 A 8.44 3.92 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 31 G 9.03 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 32 G 8.32 3.91 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 0.00 0.00 0.00 33 N 7.52 4.84 0.00 2.79 2.73 0.00 0.00 6.74 8.13 0.00 0.00 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 K 8.48 5.09 0.00 1.58 1.66 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.42 7.81 35 I 8.75 4.64 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 1.23 1.14 0.91 0.00 0.00 36 T 8.55 5.03 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 1.21 0.00 0.00 37 S 9.23 4.78 0.00 3.83 3.65 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 0.00 0.00 0.00 0.00 38 I 8.44 5.07 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 1.40 0.80 0.91 0.00 0.00 39 I 8.31 4.85 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 1.28 0.95 0.91 0.00 0.00 40 S 8.49 4.70 0.00 4.02 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 41 L 8.80 3.93 0.00 1.76 1.71 0.92 1.58 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 42 D 8.07 4.39 0.00 2.72 2.70 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 0.00 0.00 0.00 0.00 43 S 7.98 4.22 0.00 4.00 3.91 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 44 V 7.54 3.54 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 1.03 0.00 0.00 0.93 0.00 0.00 45 E 8.04 3.95 0.00 2.21 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 2.33 2.63 0.00 46 E 8.51 4.03 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 2.34 2.46 0.00 47 L 8.40 4.38 0.00 1.56 1.70 0.92 0.94 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 48 G 7.70 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.71 3.83 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 0.79 0.00 0.00 0.97 0.00 0.00 50 K 8.21 4.47 0.00 1.81 1.63 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.43 1.51 7.81 51 E 8.66 4.08 0.00 1.92 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 2.30 2.33 0.00 52 G 8.93 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 0.00 0.00 0.00 53 A 7.85 4.16 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 54 E 8.65 4.92 0.00 1.85 1.91 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 2.23 2.26 0.00 55 L 8.79 4.93 0.00 1.55 1.52 0.92 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.41 5.08 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 1.21 0.00 0.00 57 A 8.97 4.58 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 58 V 8.33 4.91 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 0.82 0.00 0.00 0.93 0.00 0.00 59 V 8.70 4.47 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 0.88 0.00 0.00 0.93 0.00 0.00 60 K 8.71 4.21 0.00 1.83 1.66 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.46 7.81 61 S 8.79 4.18 0.00 3.92 3.90 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 62 T 7.88 4.05 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 1.21 0.00 0.00 63 D 7.92 4.63 0.00 2.87 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 64 V 7.52 4.13 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 0.78 0.00 0.00 0.98 0.00 0.00 65 M 8.39 4.51 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 66 I 8.05 4.50 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 0.86 0.91 0.00 0.00 67 L 8.45 4.66 0.00 1.53 1.50 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.57 4.34 1.22 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 0.00 0.00 0.00