NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5733 8.3601 120.5308 54.6057 42.2400 174.1265 4 A 4.4073 7.9307 123.2061 50.6629 22.0034 174.5154 5 L 4.3572 9.0346 120.6748 54.4172 43.5249 175.0046 6 N 5.1164 8.4654 118.3412 51.5403 41.6444 174.2051 7 V 4.5243 7.8796 112.8512 58.6516 35.1555 173.8303 8 P 4.5162 0.0000 0.0000 62.7513 31.8692 176.0320 9 S 4.8058 8.2654 115.2865 57.2479 65.2949 173.8232 10 T 4.6036 8.2322 118.2768 62.1002 70.0960 174.9147 11 C 4.9022 8.4842 122.5879 55.1295 44.0625 173.7941 12 C 4.7690 8.2008 119.1448 55.4283 41.4418 173.9688 13 F 4.4815 8.5257 121.4450 57.2677 40.2365 175.3473 14 T 4.4608 7.3856 109.3533 59.6724 71.6899 172.9243 15 F 5.2457 8.2436 121.1299 55.5025 41.3297 176.0256 16 S 4.3815 8.9321 121.6555 59.1539 63.0249 174.9175 17 S 4.5395 8.7421 118.6787 58.9420 63.7936 173.9489 18 K 4.1001 7.8731 122.6672 54.8903 32.8491 175.8661 19 K 2.4934 7.8674 127.6095 54.2198 31.0796 175.9942 20 I 3.7586 7.3468 126.1259 60.1958 38.9867 175.5759 21 S 4.1529 8.3751 119.7239 58.1036 62.9134 175.1161 22 L 3.3236 8.3024 128.9334 57.7311 42.0114 178.5921 23 Q 3.8837 7.8178 118.4176 58.6140 29.1625 177.0382 24 R 4.1373 7.9055 115.8079 57.3106 30.5131 175.9453 25 L 4.9182 7.5819 118.5232 53.3771 43.1661 175.9231 26 K 4.5134 8.7733 123.8434 58.0298 33.9699 175.7294 27 S 4.8995 7.7121 112.2933 58.2556 65.8186 173.9981 28 Y 5.4474 8.3478 116.9251 55.8119 41.0216 174.5923 29 V 4.4076 8.7321 112.4051 59.7504 36.4313 174.5950 30 I 4.8477 8.1673 123.3089 59.9579 38.4637 176.0645 31 T 4.0119 8.3906 116.6694 61.6341 69.5056 173.9230 32 T 3.8855 8.6386 117.0894 62.5220 67.6915 174.9686 33 S 4.3064 8.5342 121.0247 60.6526 63.2125 175.6926 34 R 4.0688 7.5518 120.0578 58.7409 30.0495 176.6588 35 C 4.5371 7.8117 115.3742 55.9819 40.7138 172.1183 36 P 4.3154 0.0000 0.0000 64.9783 31.2366 177.0318 37 Q 4.6193 7.5385 114.8443 53.3240 32.1840 174.9106 38 K 4.0761 8.6095 122.8798 56.6004 33.1346 175.6494 39 A 4.7761 8.3860 125.5839 50.7118 23.3536 174.8210 40 V 4.4260 8.3070 119.5462 61.5167 33.7536 174.8565 41 I 4.8212 8.5107 128.4931 59.5487 39.5576 174.8828 42 F 5.0821 9.1188 127.0596 57.1093 40.7124 174.6470 43 R 5.1976 9.3115 123.9570 54.8835 32.0890 175.7182 44 T 4.7410 8.8985 117.1269 60.7063 70.3478 176.1181 45 K 3.9585 8.8587 122.1177 59.1259 32.0936 178.2371 46 L 4.3185 7.8211 116.2805 54.5821 41.9126 177.1294 47 G 4.0454 8.3403 107.8071 44.6179 0.0000 173.9860 48 K 4.3054 8.2597 121.6591 56.2207 33.6527 175.2163 49 E 5.2257 8.7359 124.7264 54.7525 31.7007 175.2983 50 I 4.7144 8.9138 125.0599 59.6429 40.6401 174.2809 51 C 5.1206 8.9980 124.0896 56.9119 42.5914 172.4742 52 A 5.0427 8.9528 123.4298 50.4581 23.1875 174.8639 53 D 3.3700 7.9350 119.5758 52.0759 41.4853 175.7760 54 P 4.0276 0.0000 0.0000 65.0634 31.4883 177.7789 55 K 4.0283 7.8506 116.6666 58.1894 32.5593 177.9836 56 E 4.0178 7.5379 119.7207 55.3841 30.9915 177.4603 57 K 3.8231 8.5869 124.4744 59.4976 32.3134 179.1042 58 W 4.0857 8.0565 116.4152 59.4578 27.8944 178.3228 59 V 2.8353 6.3838 118.4018 65.5681 30.9838 177.8304 60 Q 3.8420 7.7312 117.7363 59.0648 28.5027 178.6886 61 N 4.4580 8.3975 117.5949 56.5935 38.5496 177.1628 62 Y 4.3468 8.4694 118.3566 61.3622 37.9101 178.3012 63 M 3.7972 8.4168 119.9514 58.1165 31.7148 178.6892 64 K 3.9806 7.9634 118.9443 59.8568 32.4263 178.3454 65 H 4.3481 8.0452 115.6932 58.7813 28.7249 177.4922 66 L 4.2554 8.1881 120.2750 55.7517 41.6340 177.3645 67 G 4.1512 8.4596 111.6752 45.7923 0.0000 172.9255 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 3 D 8.36 4.57 0.00 2.68 2.67 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 4 A 7.93 4.41 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 5 L 9.03 4.36 0.00 1.63 1.61 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.47 5.12 0.00 2.67 2.69 0.00 0.00 6.76 7.68 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 7 V 7.88 4.52 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 0.75 0.00 0.00 0.93 0.00 0.00 8 P 0.00 4.52 0.00 2.05 2.00 0.00 3.65 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 2.03 2.11 0.00 9 S 8.27 4.81 0.00 3.85 3.76 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 0.00 0.00 0.00 10 T 8.23 4.60 4.23 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 1.20 0.00 0.00 11 C 8.48 4.90 0.00 2.63 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 0.00 0.00 0.00 0.00 12 C 8.20 4.77 0.00 2.86 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 13 F 8.53 4.48 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 14 T 7.39 4.46 4.23 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 1.22 0.00 0.00 15 F 8.24 5.25 0.00 3.12 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 16 S 8.93 4.38 0.00 4.22 4.01 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 17 S 8.74 4.54 0.00 4.02 4.06 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 0.00 0.00 0.00 18 K 7.87 4.10 0.00 1.71 1.73 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.29 7.81 19 K 7.87 2.49 0.00 0.79 1.12 0.00 1.20 0.00 0.00 1.27 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.84 0.21 7.81 20 I 7.35 3.76 1.87 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 1.28 0.91 0.98 0.00 0.00 21 S 8.38 4.15 0.00 3.84 3.67 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 22 L 8.30 3.32 0.00 0.62 1.24 0.30 0.43 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 23 Q 7.82 3.88 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 24 R 7.91 4.14 0.00 2.07 1.94 0.00 3.14 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 25 L 7.58 4.92 0.00 1.61 1.60 0.44 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.77 4.51 0.00 1.73 2.06 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.39 7.81 27 S 7.71 4.90 0.00 3.87 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 28 Y 8.35 5.45 0.00 2.72 3.06 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 0.00 0.00 0.00 29 V 8.73 4.41 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 0.66 0.00 0.00 0.91 0.00 0.00 30 I 8.17 4.85 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 0.89 0.00 0.00 31 T 8.39 4.01 4.18 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 0.00 0.00 0.00 1.15 0.00 0.00 32 T 8.64 3.89 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 1.19 0.00 0.00 33 S 8.53 4.31 0.00 4.01 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 34 R 7.55 4.07 0.00 1.77 2.04 0.00 3.17 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 35 C 7.81 4.54 0.00 2.99 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 36 P 0.00 4.32 0.00 2.17 2.21 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 37 Q 7.54 4.62 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 38 K 8.61 4.08 0.00 1.71 1.71 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 39 A 8.39 4.78 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 4.43 1.69 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 0.12 0.00 0.00 0.60 0.00 0.00 41 I 8.51 4.82 1.86 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 0.51 0.95 0.00 0.00 42 F 9.12 5.08 0.00 3.16 3.06 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 0.00 0.00 0.00 43 R 9.31 5.20 0.00 1.91 1.86 0.00 3.12 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 44 T 8.90 4.74 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 45 K 8.86 3.96 0.00 1.76 1.93 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.49 1.43 7.81 46 L 7.82 4.32 0.00 1.65 1.71 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.34 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 48 K 8.26 4.31 0.00 1.91 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.47 7.81 49 E 8.74 5.23 0.00 1.92 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 2.26 2.35 0.00 50 I 8.91 4.71 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 1.19 0.00 0.00 51 C 9.00 5.12 0.00 3.02 3.24 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 0.00 52 A 8.95 5.04 1.09 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 53 D 7.93 3.37 0.00 1.64 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 0.00 0.00 0.00 54 P 0.00 4.03 0.00 1.90 1.93 0.00 3.28 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 55 K 7.85 4.03 0.00 1.71 1.76 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.29 7.81 56 E 7.54 4.02 0.00 1.47 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 57 K 8.59 3.82 0.00 1.81 1.84 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.51 7.81 58 W 8.06 4.09 0.00 3.20 3.14 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 0.00 0.00 0.00 0.00 59 V 6.38 2.84 1.62 0.00 0.00 0.00 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 -0.99 0.00 0.00 60 Q 7.73 3.84 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 61 N 8.40 4.46 0.00 3.04 3.08 0.00 0.00 7.05 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 62 Y 8.47 4.35 0.00 3.23 2.85 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 63 M 8.42 3.80 0.00 1.47 2.01 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.05 0.00 64 K 7.96 3.98 0.00 1.75 2.05 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 65 H 8.05 4.35 0.00 3.31 3.35 0.00 5.90 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.19 4.26 0.00 1.98 1.98 1.25 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.46 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00