NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4773 8.3049 120.3263 55.1681 34.0986 176.1154 2 T 4.1194 7.7463 114.7781 64.7188 69.4762 172.9814 3 E 4.2856 8.9008 119.2777 57.7217 30.7775 176.7037 4 T 4.4213 7.7565 113.8922 63.3715 68.1537 174.1281 5 D 4.8565 7.6051 119.4927 53.5649 42.3304 177.7625 6 K 4.1609 8.1372 117.2625 59.4734 32.7486 176.9207 7 K 4.3939 7.0804 117.8985 55.1115 34.4705 175.4147 8 Q 4.4234 8.1572 118.5760 55.0661 30.2366 175.0610 9 E 4.2601 8.3648 117.0050 55.5234 31.6408 172.4898 10 Q 3.4278 8.0730 122.5326 55.7217 26.2995 172.0671 11 E 4.3496 8.6030 123.5034 57.3033 30.8311 176.0511 12 N 4.7946 7.6074 115.2339 52.4727 41.9287 172.9886 13 H 4.1856 8.8804 125.5423 56.5821 30.6655 171.9195 14 A 3.4299 8.3930 133.6151 51.6748 15.9412 177.0278 15 E 4.2907 8.4025 120.3985 57.6235 30.1752 177.4300 16 C 4.6630 8.2861 111.0046 57.8026 32.0283 173.1479 17 E 4.5171 8.1264 122.0344 54.8109 30.3123 174.4118 18 D 4.8186 8.4925 124.4920 54.3130 43.3007 176.4934 19 K 4.1379 7.8915 117.9890 55.5325 32.5958 174.8713 20 P 4.4475 0.0000 0.0000 62.6303 32.3339 176.4160 21 K 4.4407 8.1979 117.7438 53.8858 33.4657 175.4001 22 P 4.4494 0.0000 0.0000 63.0791 31.6581 174.1360 23 C 3.9456 7.9026 121.3080 60.1284 29.9442 173.3179 24 C 3.8313 9.3293 121.3047 59.7750 26.5712 176.7509 25 V 2.7284 9.1233 120.6022 64.2701 31.7136 174.7981 26 C 5.0353 7.9614 117.8198 59.7165 30.3323 175.5032 27 K 3.8545 8.3566 123.3308 60.0911 31.6691 176.8168 28 P 4.1093 0.0000 0.0000 65.2641 31.2446 178.4389 29 E 4.1528 8.2583 117.3109 59.1714 29.4249 179.0972 30 K 3.7616 8.3970 119.8596 59.3777 32.3002 178.8481 31 E 3.9100 7.7243 118.5541 59.4887 29.4438 179.1930 32 E 3.7660 8.1893 118.5942 59.1212 29.4921 179.3605 33 R 3.4982 7.9119 118.6640 59.4592 30.2145 177.9391 34 D 4.2518 7.8695 117.6955 57.5905 41.1134 178.3535 35 T 3.8328 7.7167 116.0496 66.8580 68.4263 175.8804 36 C 3.8094 7.5341 120.2979 62.6662 31.2184 175.6774 37 I 3.8059 7.4343 120.0831 64.3876 36.7278 177.8581 38 L 4.1217 7.7316 120.2676 58.7650 41.9741 178.2321 39 F 4.1852 8.4586 117.9998 58.7006 38.7576 176.0558 40 N 5.1235 7.6703 113.9427 53.5189 40.4553 175.5772 41 G 3.8687 8.7652 114.6032 45.4568 0.0000 174.4351 42 Q 3.8107 8.9083 120.9504 55.6482 27.6068 172.8050 43 D 4.7655 7.8044 121.0084 53.6307 43.7500 176.2353 44 S 4.2776 8.0584 113.6981 59.1761 62.7784 173.5066 45 E 4.5544 8.6282 122.7467 56.8176 29.0978 177.2946 46 K 4.6323 7.8165 116.5309 56.2319 32.8706 176.4983 47 C 5.1218 7.8271 112.4236 56.7715 31.1844 175.8305 48 K 4.1100 8.1282 120.9782 59.6957 31.9632 178.7361 49 E 3.8614 8.0325 118.9840 59.5308 29.6764 179.0180 50 F 4.2299 7.9480 118.5738 59.9526 39.0679 177.6438 51 I 3.7965 7.8522 119.0953 64.5055 37.0089 178.2126 52 E 4.0125 8.2985 119.2600 59.5133 29.3795 179.4716 53 K 4.2431 8.0855 120.8529 59.0550 32.1730 178.2319 54 Y 4.0880 8.1923 119.9239 60.4597 38.7614 177.9727 55 K 3.9400 8.3283 119.6642 59.5215 31.8832 179.1525 56 E 3.9923 8.2057 117.8395 59.5422 29.3937 178.7321 57 C 4.0946 8.0518 117.5712 63.1438 28.3574 176.1347 58 M 4.0766 7.7827 119.9497 58.0895 31.2172 178.7763 59 K 4.0239 7.8599 119.3869 59.5737 32.4795 178.9021 60 G 3.7123 8.0192 104.5427 47.2870 0.0000 175.0099 61 Y 4.3798 7.7207 121.0566 59.7713 39.0867 177.3237 62 G 4.3571 6.5009 118.6926 46.0789 0.0000 172.3432 63 F 4.6452 7.5652 118.9135 55.8755 42.7409 173.8891 64 E 4.1761 8.9543 126.8584 55.1769 28.6087 171.2893 65 V 3.3614 8.4012 133.1084 61.1127 32.8869 170.3040 66 P 4.3555 0.0000 0.0000 62.3303 31.6590 176.3923 67 S 4.2645 8.6495 118.2628 58.3825 63.8004 172.7135 68 A 4.3590 8.5543 124.8830 53.6756 20.7185 176.0035 69 N 4.5057 8.1257 116.7565 54.1697 39.9915 173.7292 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 M 8.30 4.48 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 T 7.75 4.12 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 3 E 8.90 4.29 0.00 1.94 1.99 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 2.30 2.38 0.00 4 T 7.76 4.42 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 5 D 7.61 4.86 0.00 2.86 2.60 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 6 K 8.14 4.16 0.00 1.90 1.93 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.43 7.81 7 K 7.08 4.39 0.00 1.97 1.86 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.39 7.81 8 Q 8.16 4.42 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 9 E 8.36 4.26 0.00 1.88 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 2.17 2.23 0.00 10 Q 8.07 3.43 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 11 E 8.60 4.35 0.00 1.90 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 2.22 2.34 0.00 12 N 7.61 4.79 0.00 2.68 2.63 0.00 0.00 6.94 7.90 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 13 H 8.88 4.19 0.00 3.14 3.19 0.00 5.93 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 14 A 8.39 3.43 1.20 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 0.00 0.00 0.00 15 E 8.40 4.29 0.00 1.96 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 2.31 2.28 0.00 16 C 8.29 4.66 0.00 3.01 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 17 E 8.13 4.52 0.00 1.93 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 2.21 2.27 0.00 18 D 8.49 4.82 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 4.14 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 20 P 0.00 4.45 0.00 2.19 2.06 0.00 3.71 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 1.99 1.99 0.00 21 K 8.20 4.44 0.00 1.76 1.76 0.00 1.69 0.00 0.00 1.99 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.34 7.81 22 P 0.00 4.45 0.00 2.24 2.22 0.00 3.90 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 23 C 7.90 3.95 0.00 3.26 3.02 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 0.00 0.00 0.00 24 C 9.33 3.83 0.00 3.24 2.84 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 0.00 0.00 0.00 25 V 9.12 2.73 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 0.83 0.00 0.00 0.91 0.00 0.00 26 C 7.96 5.04 0.00 2.94 2.79 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 0.00 0.00 0.00 27 K 8.36 3.85 0.00 1.86 1.85 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.61 7.81 28 P 0.00 4.11 0.00 2.24 2.09 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 29 E 8.26 4.15 0.00 2.44 2.36 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 2.49 2.56 0.00 30 K 8.40 3.76 0.00 2.10 1.99 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.33 7.81 31 E 7.72 3.91 0.00 1.99 1.95 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 2.51 2.49 0.00 32 E 8.19 3.77 0.00 2.04 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 2.58 2.55 0.00 33 R 7.91 3.50 0.00 1.94 1.85 0.00 2.97 0.00 0.00 2.87 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 34 D 7.87 4.25 0.00 2.74 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 35 T 7.72 3.83 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 1.10 0.00 0.00 36 C 7.53 3.81 0.00 2.12 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 37 I 7.43 3.81 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.93 0.00 0.00 38 L 7.73 4.12 0.00 1.89 1.89 0.83 0.74 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 39 F 8.46 4.19 0.00 3.12 3.02 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 0.00 0.00 0.00 40 N 7.67 5.12 0.00 2.83 2.88 0.00 0.00 6.05 7.08 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 41 G 8.77 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 0.00 0.00 0.00 42 Q 8.91 3.81 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 43 D 7.80 4.77 0.00 2.56 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.06 4.28 0.00 3.93 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 45 E 8.63 4.55 0.00 2.01 1.95 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 2.30 2.34 0.00 46 K 7.82 4.63 0.00 1.71 1.84 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.51 7.81 47 C 7.83 5.12 0.00 3.15 3.18 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 0.00 48 K 8.13 4.11 0.00 2.02 2.14 0.00 1.51 0.00 0.00 1.88 0.00 0.00 3.27 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.49 7.81 49 E 8.03 3.86 0.00 1.90 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 0.00 2.18 1.48 0.00 50 F 7.95 4.23 0.00 3.21 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 51 I 7.85 3.80 1.93 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 1.55 1.22 0.97 0.00 0.00 52 E 8.30 4.01 0.00 2.05 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 2.53 2.48 0.00 53 K 8.09 4.24 0.00 1.97 1.89 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.39 7.81 54 Y 8.19 4.09 0.00 3.32 3.20 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 0.00 55 K 8.33 3.94 0.00 2.06 1.88 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.80 7.81 56 E 8.21 3.99 0.00 2.21 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 0.00 2.52 2.39 0.00 57 C 8.05 4.09 0.00 3.11 3.16 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 0.00 58 M 7.78 4.08 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.12 0.00 59 K 7.86 4.02 0.00 1.89 2.04 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 60 G 8.02 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.72 4.38 0.00 2.91 3.18 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 0.00 62 G 6.50 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 0.00 0.00 0.00 0.00 63 F 7.57 4.65 0.00 3.18 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 64 E 8.95 4.18 0.00 1.95 1.95 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 2.29 2.31 0.00 65 V 8.40 3.36 2.15 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 0.86 0.00 0.00 1.04 0.00 0.00 66 P 0.00 4.36 0.00 2.10 1.98 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 67 S 8.65 4.26 0.00 3.99 3.89 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 0.00 0.00 0.00 68 A 8.55 4.36 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 69 N 8.13 4.51 0.00 2.86 2.77 0.00 0.00 6.81 7.57 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